![TYP TYP](https://data.pdbj.org/pdbjplus/data/cc/svg/TYP.svg) | TYP | Name: | CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR | Formula: | C14 H16 N2 O3 | SMILES: | O=C1N3C(C(=O)NC1Cc2ccc(O)cc2)CCC3 | InChi: | InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18)/t11-,12-/m0/s1 | Synonyms: | (3S,8AR)-3-(4-HYDROXYBENZYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE | Definition date: | 2004-06-24 | Last modified: | 2020-06-17 | Identifier: | (3S,8aS)-3-(4-hydroxybenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
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![NTE NTE](https://data.pdbj.org/pdbjplus/data/cc/svg/NTE.svg) | NTE | Name: | [3,3'-{7-ethenyl-3,8,13,17-tetramethyl-12-[(E)-2-nitroethenyl]porphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~}dipro
panoato(2-)]iron | Formula: | C34 H31 Fe N5 O6 | SMILES: | N45[Fe]26n1c8c(c(c1C=C3N2=C(C(=C3C)C=C[N+]([O-])=O)C=C4C(=C(C5=CC7=N6C(C(=C7C)CCC(=O)O)=C8)C=C)C)C)CCC(O)=O | InChi: | InChI=1S/C34H33N5O6.Fe/c1-6-21-17(2)27-15-30-24(11-12-39(44)45)20(5)26(36-30)13-25-18(3)22(7-9-33(40)41)31(37-25)16-32-23(8-10-34(42)43)19(4)28(38-32)14-29(21)35-27 | Synonyms: | Nitriheme | Definition date: | 2011-03-02 | Last modified: | 2020-06-17 | Identifier: | {3,3'-[7-ethenyl-3,8,13,17-tetramethyl-12-(2-nitroethenyl)porphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron |
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![UDM UDM](https://data.pdbj.org/pdbjplus/data/cc/svg/UDM.svg) | UDM | Name: | URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE | Formula: | C18 H29 N3 O16 P2 | SMILES: | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O | InChi: | InChI=1S/C18H29N3O16P2/c1-7(23)19-12-10(35-8(4-22)13(25)15(12)27)6-38(30,31)37-39(32,33)34-5-9-14(26)16(28)17(36-9)21-3-2-11(24)20-18(21)29/h2-3,8-10,12-17,22,25-28H,4-6H2,1H3,(H,19,23)(H,30,31)(H,32,33)(H,20,24,29)/t8-,9-,10-,12+,13-,14-,15-,16-,17-/m1/s1 | Synonyms: | ((2S,3R,4R,5S,6R)-3-ACETAMIDO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YL)METHYLPHOSPHONIC
(((2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL PHOSPHORIC)
ANHYDRIDE | Definition date: | 2005-09-21 | Last modified: | 2020-06-17 | Identifier: | [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid |
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![R4B R4B](https://data.pdbj.org/pdbjplus/data/cc/svg/R4B.svg) | R4B | Name: | N-[(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-a
lanyl-L-alaninamide | Formula: | C31 H31 Br Cl N4 O6 P | SMILES: | O=C(N)C(NC(=O)C(NC(=O)C(CP(=O)(O)c1ccc(Br)cc1)Cc4onc(c3ccc(c2cccc(Cl)c2)cc3)c4)C)C | InChi: | InChI=1S/C31H31BrClN4O6P/c1-18(29(34)38)35-30(39)19(2)36-31(40)23(17-44(41,42)27-12-10-24(32)11-13-27)15-26-16-28(37-43-26)21-8-6-20(7-9-21)22-4-3-5-25(33)14-22/h3-14,16,18-19,23H,15,17H2,1-2H3,(H2,34,38)(H,35,39)(H,36,40)(H,41,42)/t18-,19-,23+/m0/s1 | Synonyms: | RXP470B | Definition date: | 2012-10-04 | Last modified: | 2020-06-17 | Release date: | 2013-02-01 | Identifier: | N-[(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alanyl-L-alaninamide |
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![RWJ RWJ](https://data.pdbj.org/pdbjplus/data/cc/svg/RWJ.svg) | RWJ | Name: | CYCLOPENTANECARBOXYLIC ACID [1-(BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO-BUTYL]-AMIDE | Formula: | C19 H25 N5 O2 S | SMILES: | O=C(NC(C(=O)c1nc2ccccc2s1)CCCNC(=[N@H])N)C3CCCC3 | InChi: | InChI=1S/C19H25N5O2S/c20-19(21)22-11-5-9-14(23-17(26)12-6-1-2-7-12)16(25)18-24-13-8-3-4-10-15(13)27-18/h3-4,8,10,12,14H,1-2,5-7,9,11H2,(H,23,26)(H4,20,21,22)/t14-/m0/s1 | Synonyms: | RWJ-51084 | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | N-[(1S)-1-(1,3-benzothiazol-2-ylcarbonyl)-4-carbamimidamidobutyl]cyclopentanecarboxamide |
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![R4C R4C](https://data.pdbj.org/pdbjplus/data/cc/svg/R4C.svg) | R4C | Name: | N-{(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alanyl-L-alaninamid
e | Formula: | C25 H28 Br N4 O6 P | SMILES: | O=C(N)C(NC(=O)C(NC(=O)C(CP(=O)(O)c1ccc(Br)cc1)Cc3onc(c2ccccc2)c3)C)C | InChi: | InChI=1S/C25H28BrN4O6P/c1-15(23(27)31)28-24(32)16(2)29-25(33)18(14-37(34,35)21-10-8-19(26)9-11-21)12-20-13-22(30-36-20)17-6-4-3-5-7-17/h3-11,13,15-16,18H,12,14H2,1-2H3,(H2,27,31)(H,28,32)(H,29,33)(H,34,35)/t15-,16-,18+/m0/s1 | Synonyms: | RXP470C | Definition date: | 2012-10-04 | Last modified: | 2020-06-17 | Release date: | 2013-02-01 | Identifier: | N-{(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alanyl-L-alaninamide |
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![ZZ7 ZZ7](https://data.pdbj.org/pdbjplus/data/cc/svg/ZZ7.svg) | ZZ7 | Name: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | Formula: | C16 H21 N3 O5 S | SMILES: | O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N | InChi: | InChI=1S/C16H21N3O5S/c1-16(2)11(15(23)24)19-13(25-16)10(14(21)22)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,13,19H,17H2,1-2H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,11+,13-/m1/s1 | Synonyms: | AMPICILLIN (open form) | Definition date: | 2009-06-11 | Last modified: | 2020-06-17 | Identifier: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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![XXZ XXZ](https://data.pdbj.org/pdbjplus/data/cc/svg/XXZ.svg) | XXZ | Name: | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE | Formula: | C20 H22 F N5 O | SMILES: | O=C(c1ccc(cc1)CN)N4CCC3(N=C(c2c(cccc2F)N3)N)CC4 | InChi: | InChI=1S/C20H22FN5O/c21-15-2-1-3-16-17(15)18(23)25-20(24-16)8-10-26(11-9-20)19(27)14-6-4-13(12-22)5-7-14/h1-7,24H,8-12,22H2,(H2,23,25) | Synonyms: | AR-C120011 | Definition date: | 2006-04-27 | Last modified: | 2020-06-17 | Identifier: | 1-{[4-(aminomethyl)phenyl]carbonyl}-5'-fluoro-1'H-spiro[piperidine-4,2'-quinazolin]-4'-amine |
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![SQS SQS](https://data.pdbj.org/pdbjplus/data/cc/svg/SQS.svg) | SQS | Name: | (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol | Formula: | C18 H37 N O2 | SMILES: | OCC(N)C(O)/C=C/CCCCCCCCCCCCC | InChi: | InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1 | Synonyms: | D-Sphingosine | Definition date: | 2013-04-26 | Last modified: | 2020-06-17 | Release date: | 2013-05-08 | Identifier: | (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol |
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![UDR UDR](https://data.pdbj.org/pdbjplus/data/cc/svg/UDR.svg) | UDR | Name: | (E)-S-Methyl
5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy
lbenzothioate | Formula: | C27 H29 N3 O5 S | SMILES: | O=C(SC)c1c(OC)c(cc(c1)C(c3cc2c(OC(=O)N2C)c(c3)C)=C/CCCc4nnc(o4)C)C | InChi: | InChI=1S/C27H29N3O5S/c1-15-11-18(13-21(24(15)33-5)26(31)36-6)20(9-7-8-10-23-29-28-17(3)34-23)19-12-16(2)25-22(14-19)30(4)27(32)35-25/h9,11-14H,7-8,10H2,1-6H3/b20-9+ | Synonyms: | S-methyl
5-[(1E)-1-(3,7-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl]-2-methox
y-3-methylbenzenecarbothioate | Definition date: | 2009-08-25 | Last modified: | 2020-06-17 | Identifier: | S-methyl 5-[(1E)-1-(3,7-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl]-2-methoxy-3-methylbenzenecarbothioate |
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![SQU SQU](https://data.pdbj.org/pdbjplus/data/cc/svg/SQU.svg) | SQU | Name: | 2,10,23-TRIMETHYL-TETRACOSANE | Formula: | C27 H56 | SMILES: | C(CCCCCCCC(C)CCCCCCCCCCCCC(C)C)(C)C | InChi: | InChI=1S/C27H56/c1-25(2)21-17-13-10-8-6-7-9-11-15-19-23-27(5)24-20-16-12-14-18-22-26(3)4/h25-27H,6-24H2,1-5H3/t27-/m1/s1 | Synonyms: | LIPID FRAGMENT | Definition date: | 1999-09-16 | Last modified: | 2020-06-17 | Identifier: | (10R)-2,10,23-trimethyltetracosane |
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![ZIL ZIL](https://data.pdbj.org/pdbjplus/data/cc/svg/ZIL.svg) | ZIL | Name: | N-[(benzyloxy)carbonyl]-L-isoleucyl-L-leucine | Formula: | C20 H30 N2 O5 | SMILES: | O=C(O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)CC)CC(C)C | InChi: | InChI=1S/C20H30N2O5/c1-5-14(4)17(18(23)21-16(19(24)25)11-13(2)3)22-20(26)27-12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)/t14-,16-,17-/m0/s1 | Synonyms: | Z-Ile-Leu | Definition date: | 2014-07-23 | Last modified: | 2020-06-17 | Release date: | 2014-10-08 | Identifier: | N-[(benzyloxy)carbonyl]-L-isoleucyl-L-leucine |
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![RIO RIO](https://data.pdbj.org/pdbjplus/data/cc/svg/RIO.svg) | RIO | Name: | RIBOSTAMYCIN | Formula: | C17 H34 N4 O10 | SMILES: | O(C2C(OC1OC(CN)C(O)C(O)C1N)C(N)CC(N)C2O)C3OC(C(O)C3O)CO | InChi: | InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1 | Synonyms: | 5-AMINO-2-AMINOMETHYL-6-[4,6-DIAMINO-2-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YLOXY)-3-HYDROXY-CYCLOHEXYLOXY
]-TETRAHYDRO-PYRAN-3,4-DIOL | Definition date: | 2002-07-08 | Last modified: | 2020-06-17 | Identifier: | (1R,2R,3S,4R,6S)-4,6-diamino-3-hydroxy-2-(beta-D-ribofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside |
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![T5X T5X](https://data.pdbj.org/pdbjplus/data/cc/svg/T5X.svg) | T5X | Name: | 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia
zol-3-ium-2-yl}-5-O-phosphono-D-xylitol | Formula: | C17 H30 N4 O15 P3 S | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)(c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)CO | InChi: | InChI=1S/C17H29N4O15P3S/c1-9-13(3-4-34-39(32,33)36-38(29,30)31)40-16(21(9)6-11-5-19-10(2)20-15(11)18)17(25,8-22)14(24)12(23)7-35-37(26,27)28/h5,12,14,22-25H,3-4,6-8H2,1-2H3,(H6-,18,19,20,26,27,28,29,30,31,32,33)/p+1/t12-,14+,17+/m1/s1 | Synonyms: | D-XYLULOSE-5-PHOSPHATE THIAMIN DIPHOSPHATE ADDUCT | Definition date: | 2007-10-25 | Last modified: | 2020-06-17 | Identifier: | 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-5-O-phosphono-D-xylitol |
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![UE1 UE1](https://data.pdbj.org/pdbjplus/data/cc/svg/UE1.svg) | UE1 | Name: | (4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-
1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate | Formula: | C23 H27 N10 O13 S2 | SMILES: | O=C1N(C(=NN1S(=O)(=O)NC(=O)NCC(C=O)NC(=O)C(=NOC(C([O-])=O)(C)C)/c2nc(sc2)N)c3ncc(O)c(O)c3)CC(O)CO | InChi: | InChI=1S/C23H28N10O13S2/c1-23(2,19(40)41)46-30-16(13-9-47-20(24)28-13)18(39)27-10(7-34)4-26-21(42)31-48(44,45)33-22(43)32(6-11(36)8-35)17(29-33)12-3-14(37)15(38)5-25-12/h3,5,7,9-11,35-36,38H,4,6,8H2,1-2H3,(H2,24,28)(H,25,37)(H,27,39)(H,40,41)(H2,26,31,42)/p-1/b30-16-/t10-,11+/m0/s1 | Synonyms: | MC-1 (open form) | Definition date: | 2011-11-14 | Last modified: | 2020-06-17 | Identifier: | (4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate |
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![RIS RIS](https://data.pdbj.org/pdbjplus/data/cc/svg/RIS.svg) | RIS | Name: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID | Formula: | C7 H11 N O7 P2 | SMILES: | O=P(O)(O)C(O)(P(=O)(O)O)Cc1cccnc1 | InChi: | InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15) | Synonyms: | Risedronate | Definition date: | 2003-12-17 | Last modified: | 2020-06-17 | Identifier: | (1-hydroxy-2-pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid) |
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![RX3 RX3](https://data.pdbj.org/pdbjplus/data/cc/svg/RX3.svg) | RX3 | Name: | N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)-L-TRYPT
OPHAN | Formula: | C33 H36 N3 O7 P | SMILES: | O=C(OCc1ccccc1)NC(Cc2ccccc2)P(=O)(O)C5CCCC5C(=O)NC(C(=O)O)Cc4c3ccccc3nc4 | InChi: | InChI=1S/C33H36N3O7P/c37-31(35-28(32(38)39)19-24-20-34-27-16-8-7-14-25(24)27)26-15-9-17-29(26)44(41,42)30(18-22-10-3-1-4-11-22)36-33(40)43-21-23-12-5-2-6-13-23/h1-8,10-14,16,20,26,28-30,34H,9,15,17-19,21H2,(H,35,37)(H,36,40)(H,38,39)(H,41,42)/t26-,28+,29-,30-/m1/s1 | Synonyms: | RXPA380 | Definition date: | 2007-01-04 | Last modified: | 2020-06-17 | Identifier: | N-({(1S,2R)-2-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]cyclopentyl}carbonyl)-L-tryptophan |
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![RX5 RX5](https://data.pdbj.org/pdbjplus/data/cc/svg/RX5.svg) | RX5 | Name: | methyl
(2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl]
methoxy}ethyl)carbamate | Formula: | C26 H41 Cl N4 O5 | SMILES: | Clc1cccc(c1)C(OCCNC(=O)OC)C3CCCN(C(=O)NCC(NC)CC2CCCOC2)C3 | InChi: | InChI=1S/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1 | Synonyms: | VTP-27999 | Definition date: | 2011-02-14 | Last modified: | 2020-06-17 | Identifier: | methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate |
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![T64 T64](https://data.pdbj.org/pdbjplus/data/cc/svg/T64.svg) | T64 | Name: | (6-4)photoproduct | Formula: | C20 H28 N4 O15 P2 | SMILES: | OP(OCC5C3CC(N1C(=O)NC(=O)C(C1C4=NC(N(C2CC(O)C(O2)COP(O3)(=O)O)C=C4C)=O)(O)C)O5)(O)=O | InChi: | InChI=1S/C20H28N4O15P2/c1-8-5-23-13-3-9(25)11(37-13)6-36-41(33,34)39-10-4-14(38-12(10)7-35-40(30,31)32)24-16(15(8)21-18(23)27)20(2,29)17(26)22-19(24)28/h5,9-14,16,25,29H,3-4,6-7H2,1-2H3,(H,33,34)(H,22,26,28)(H2,30,31,32)/t9-,10-,11+,12+,13+,14+,16-,20+/m0/s1 | Synonyms: | [(2R,4S,5R,10S,11R,13R,18R,19S)-4,8,18-trihydroxy-18,24-dimethyl-8-oxido-15,17,22-trioxo-7,9,12,26-tetraoxa-1,14,16,21-
tetraaza-8-phosphapentacyclo[18.2.2.1~2,5~.1~10,13~.0~14,19~]hexacosa-20,23-dien-11-yl]methyl dihydrogen phosphate | Definition date: | 2011-07-26 | Last modified: | 2020-06-17 | Release date: | 2015-12-02 | Identifier: | [(2R,4S,5R,10S,11R,13R,18R,19S)-4,8,18-trihydroxy-18,24-dimethyl-8-oxido-15,17,22-trioxo-7,9,12,26-tetraoxa-1,14,16,21-tetraaza-8-phosphapentacyclo[18.2.2.1~2,5~.1~10,13~.0~14,19~]hexacosa-20,23-dien-11-yl]methyl dihydrogen phosphate (non-preferred name) |
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![5OD 5OD](https://data.pdbj.org/pdbjplus/data/cc/svg/5OD.svg) | 5OD | Name: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine | Formula: | C16 H19 Cl2 N5 | SMILES: | CC1(N)CCN(CC1)c2cnc(c(N)n2)c3cccc(Cl)c3Cl | InChi: | InChI=1S/C16H19Cl2N5/c1-16(20)5-7-23(8-6-16)12-9-21-14(15(19)22-12)10-3-2-4-11(17)13(10)18/h2-4,9H,5-8,20H2,1H3,(H2,19,22) | Synonyms: | SHP099 | Definition date: | 2015-10-29 | Last modified: | 2020-06-17 | Release date: | 2016-06-29 | Identifier: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine |
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![TZD TZD](https://data.pdbj.org/pdbjplus/data/cc/svg/TZD.svg) | TZD | Name: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN
DIPHOSPHATE | Formula: | C12 H18 N4 O8 P2 S | SMILES: | O=C1SC(=C(N1Cc2c(nc(nc2)C)N)C)CCOP(=O)(O)OP(=O)(O)O | InChi: | InChI=1S/C12H18N4O8P2S/c1-7-10(3-4-23-26(21,22)24-25(18,19)20)27-12(17)16(7)6-9-5-14-8(2)15-11(9)13/h5H,3-4,6H2,1-2H3,(H,21,22)(H2,13,14,15)(H2,18,19,20) | Synonyms: | THIAMIN THIAZOLONE DIPHOSPHATE | Definition date: | 2003-12-17 | Last modified: | 2020-06-17 | Identifier: | 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogen diphosphate |
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![YG YG](https://data.pdbj.org/pdbjplus/data/cc/svg/YG.svg) | YG | Name: | WYBUTOSINE | Formula: | C21 H29 N6 O12 P | SMILES: | O=C(OC)C(NC(=O)OC)CCc3c(nc4N(c1c(ncn1C2OC(C(O)C2O)COP(=O)(O)O)C(=O)n34)C)C | InChi: | InChI=1S/C21H29N6O12P/c1-9-11(6-5-10(19(31)36-3)24-21(32)37-4)27-17(30)13-16(25(2)20(27)23-9)26(8-22-13)18-15(29)14(28)12(39-18)7-38-40(33,34)35/h8,10,12,14-15,18,28-29H,5-7H2,1-4H3,(H,24,32)(H2,33,34,35)/t10-,12-,14-,15-,18-/m1/s1 | Synonyms: | Y-BASE | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | 7-{(3R)-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one |
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![URM URM](https://data.pdbj.org/pdbjplus/data/cc/svg/URM.svg) | URM | Name: | (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic
(((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric)
anhydride | Formula: | C16 H26 N2 O16 P2 | SMILES: | OC[CH]1O[CH](C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C16H26N2O16P2/c19-3-6-10(21)13(24)12(23)8(32-6)5-35(27,28)34-36(29,30)31-4-7-11(22)14(25)15(33-7)18-2-1-9(20)17-16(18)26/h1-2,6-8,10-15,19,21-25H,3-5H2,(H,27,28)(H,29,30)(H,17,20,26)/t6-,7-,8-,10+,11-,12+,13+,14-,15-/m1/s1 | Synonyms: | Uridine diphospho methylene galactopyranose | Definition date: | 2010-04-14 | Last modified: | 2020-06-17 | Identifier: | [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phosphinic acid |
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![TL2 TL2](https://data.pdbj.org/pdbjplus/data/cc/svg/TL2.svg) | TL2 | Name: | 2-O-{4-[AMINO(IMINO)METHYL]PHENYL}-5-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL | Formula: | C20 H22 N4 O4 | SMILES: | O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3 | InChi: | InChI=1S/C20H22N4O4/c21-19(22)11-4-6-13(7-5-11)27-15-9-25-18-16(10-26-17(15)18)28-14-3-1-2-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17+,18+/m0/s1 | Synonyms: | 2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL | Definition date: | 2004-12-08 | Last modified: | 2020-06-17 | Identifier: | 1,4:3,6-dianhydro-5-O-(3-carbamimidoylphenyl)-2-O-(4-carbamimidoylphenyl)-D-glucitol |
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![SRE SRE](https://data.pdbj.org/pdbjplus/data/cc/svg/SRE.svg) | SRE | Name: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine | Formula: | C17 H17 Cl2 N | SMILES: | Clc1ccc(cc1Cl)C3c2c(cccc2)C(NC)CC3 | InChi: | InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | Synonyms: | Sertraline | Definition date: | 2009-04-03 | Last modified: | 2020-06-17 | Identifier: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine |
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