| T6A | Name: | N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)CARBAMOYL]THREONINE-5'-MONOPHOSPHATE | Formula: | C15 H21 N6 O11 P | SMILES: | O=C(O)C(NC(=O)Nc3ncnc1c3ncn1C2OC(C(O)C2O)COP(=O)(O)O)C(O)C | InChi: | InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)19-15(27)20-11-8-12(17-3-16-11)21(4-18-8)13-10(24)9(23)6(32-13)2-31-33(28,29)30/h3-7,9-10,13,22-24H,2H2,1H3,(H,25,26)(H2,28,29,30)(H2,16,17,19,20,27)/t5-,6-,7+,9-,10-,13-/m1/s1 | Synonyms: | N-(NEBULARIN-6-YLCARBAMOYL)-L-THREONINE-5'-MONOPHOSPHATE | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | (2S,3R)-2-{[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid (non-preferred name) |
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| T6F | Name: | 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}-6-O-phosphono-D-glucitol | Formula: | C18 H32 N4 O16 P3 S | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)C(O)(c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)CO | InChi: | InChI=1S/C18H31N4O16P3S/c1-9-13(3-4-36-41(34,35)38-40(31,32)33)42-17(22(9)6-11-5-20-10(2)21-16(11)19)18(27,8-23)15(26)14(25)12(24)7-37-39(28,29)30/h5,12,14-15,23-27H,3-4,6-8H2,1-2H3,(H6-,19,20,21,28,29,30,31,32,33,34,35)/p+1/t12-,14-,15+,18+/m1/s1 | Synonyms: | D-FRUCTOSE-6-PHOSPHATE THIAMIN DIPHOSPHATE ADDUCT | Definition date: | 2007-10-26 | Last modified: | 2021-03-01 | 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}-6-O-phosphono-D-glucitol |
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| 2IW | Name: | 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(4-methylquinolin-8-yl)benzamide | Formula: | C26 H21 N3 O3 | SMILES: | O=C(Nc2c1nccc(c1ccc2)C)c3ccc(cc3)N5C(=O)C6C4C=CC(C4)C6C5=O | InChi: | InChI=1S/C26H21N3O3/c1-14-11-12-27-23-19(14)3-2-4-20(23)28-24(30)15-7-9-18(10-8-15)29-25(31)21-16-5-6-17(13-16)22(21)26(29)32/h2-12,16-17,21-22H,13H2,1H3,(H,28,30)/t16-,17+,21-,22+ | Synonyms: | IWR-2 | Definition date: | 2012-03-06 | Last modified: | 2021-03-01 | Identifier: | 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(4-methylquinolin-8-yl)benzamide |
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| T7M | Name: | (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate | Formula: | C46 H82 O16 P2 | SMILES: | O=C(OCC(OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCCCCCCCCCCC | InChi: | InChI=1S/C46H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)60-38(36-58-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)37-59-64(56,57)62-46-43(51)41(49)45(42(50)44(46)52)61-63(53,54)55/h11,13,17,19,21,23,27,29,38,41-46,49-52H,3-10,12,14-16,18,20,22,24-26,28,30-37H2,1-2H3,(H,56,57)(H2,53,54,55)/b13-11-,19-17-,23-21-,29-27-/t38-,41-,42+,43-,44-,45+,46+/m1/s1 | Synonyms: | Phosphatidylinositol-4-phosphate | Definition date: | 2011-07-22 | Last modified: | 2021-03-01 | Identifier: | (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
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| T98 | Name: | 5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE | Formula: | C16 H15 N3 O S | SMILES: | N#Cc3ccc(c1ccc2NC(=S)OC(c2c1)(C)C)n3C | InChi: | InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21) | Synonyms: | TANAPROGET | Definition date: | 2005-06-17 | Last modified: | 2021-03-01 | Identifier: | 5-(4,4-dimethyl-2-thioxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrile |
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| 2L3 | Name: | (2R)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid | Formula: | C11 H10 O5 S | SMILES: | O=S(=O)(O)C2(C(=O)c1c(cccc1)C(=O)C2)C | InChi: | InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/t11-/m1/s1 | Synonyms: | menadione bisulfite | Definition date: | 2013-11-25 | Last modified: | 2021-03-01 | Release date: | 2014-02-19 | Identifier: | (2R)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid |
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| 2L4 | Name: | 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol | Formula: | C11 H16 N4 O7 | SMILES: | O=C1NC(NCC(O)C(O)C(O)CO)=C(N=CC=O)C(=O)N1 | InChi: | InChI=1S/C11H16N4O7/c16-2-1-12-7-9(14-11(22)15-10(7)21)13-3-5(18)8(20)6(19)4-17/h1-2,5-6,8,17-20H,3-4H2,(H3,13,14,15,21,22)/b12-1+/t5-,6+,8-/m0/s1 | Synonyms: | 5-(2-oxoethylideneamino)-6-D-ribitylaminouracil | Definition date: | 2013-11-25 | Last modified: | 2021-03-01 | Release date: | 2014-04-16 | Identifier: | 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol |
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| 2LB | Name: | (2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid | Formula: | C11 H10 O5 S | SMILES: | O=S(=O)(O)C2(C(=O)c1c(cccc1)C(=O)C2)C | InChi: | InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/t11-/m0/s1 | Synonyms: | menadione bisulfite | Definition date: | 2013-11-26 | Last modified: | 2021-03-01 | Release date: | 2014-02-19 | Identifier: | (2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid |
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| 2LJ | Name: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol | Formula: | C12 H20 N4 O6 | SMILES: | C1(=O)NC(NC(=C1N=CCC)NCC(O)C(O)C(O)CO)=O | InChi: | InChI=1S/C12H20N4O6/c1-2-3-13-8-10(15-12(22)16-11(8)21)14-4-6(18)9(20)7(19)5-17/h3,6-7,9,17-20H,2,4-5H2,1H3,(H3,14,15,16,21,22)/b13-3+/t6-,7+,9-/m0/s1 | Synonyms: | 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil | Definition date: | 2013-11-27 | Last modified: | 2021-03-01 | Release date: | 2014-04-16 | Identifier: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol |
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| TAK | Name: | 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine | Formula: | C24 H25 N5 O | SMILES: | O(c4ccc(c2cn3ncc(c1ccncc1)c3nc2)cc4)CCN5CCCCC5 | InChi: | InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2 | Synonyms: | Dorsomorphin | Definition date: | 2008-01-21 | Last modified: | 2021-03-01 | Identifier: | 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine |
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| 2M1 | Name: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-L-leucinamide | Formula: | C28 H47 N3 O6 S | SMILES: | O=S(=O)(C)CCC(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C | InChi: | InChI=1S/C28H47N3O6S/c1-19(2)15-23(13-14-38(7,35)36)29-26(32)24(16-20(3)4)30-27(33)25(17-21(5)6)31-28(34)37-18-22-11-9-8-10-12-22/h8-12,19-21,23-25H,13-18H2,1-7H3,(H,29,32)(H,30,33)(H,31,34)/t23-,24+,25+/m1/s1 | Synonyms: | PHQ-Leu-Leu-Leu-vinylsulfone | Definition date: | 2013-12-02 | Last modified: | 2021-03-01 | Release date: | 2014-02-12 | Identifier: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-L-leucinamide |
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| TAP | Name: | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Formula: | C21 H28 N7 O16 P3 S | SMILES: | NC(=S)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | InChi: | InChI=1S/C21H28N7O16P3S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(43-45(32,33)34)14(30)11(42-21)6-40-47(37,38)44-46(35,36)39-5-10-13(29)15(31)20(41-10)27-3-1-2-9(4-27)18(23)48/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,48)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | Synonyms: | TATP | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamothioylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate |
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| TAX | Name: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM | Formula: | C26 H30 N O | SMILES: | O(c1ccc(cc1)C(c2ccccc2)=C(c3ccccc3)CC)CC[NH+](C)C | InChi: | InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/p+1/b26-25+ | Synonyms: | CIS FORM OF TAMOXIFEN | Definition date: | 2000-08-14 | Last modified: | 2021-03-01 | Identifier: | 2-{4-[(1E)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanaminium |
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| UW5 | Name: | 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol | Formula: | C22 H23 N5 O2 | SMILES: | OC(Cn2c1ncnc(c1c(n2)c3ccc4c(c3)ccc(c4)OC5CC5)N)(C)C | InChi: | InChI=1S/C22H23N5O2/c1-22(2,28)11-27-21-18(20(23)24-12-25-21)19(26-27)15-4-3-14-10-17(29-16-7-8-16)6-5-13(14)9-15/h3-6,9-10,12,16,28H,7-8,11H2,1-2H3,(H2,23,24,25) | Synonyms: | UW1553 | Definition date: | 2017-10-30 | Last modified: | 2021-03-01 | Release date: | 2017-12-06 | Identifier: | 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol |
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| 2NC | Name: | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide | Formula: | C35 H68 N11 O8 | SMILES: | O=C(NC(C(=O)NC(CCCC)CNC(C(=O)NC(C(=O)NC(C(=O)N)CCCNC(=[NH2+])N)CCC(=O)N)CCCC)C(C)CC)C(NC(=O)C)C(O)C | InChi: | InChI=1S/C35H67N11O8/c1-7-10-13-23(43-33(53)28(20(4)9-3)46-34(54)29(21(5)47)42-22(6)48)19-41-25(14-11-8-2)31(51)45-26(16-17-27(36)49)32(52)44-24(30(37)50)15-12-18-40-35(38)39/h20-21,23-26,28-29,41,47H,7-19H2,1-6H3,(H2,36,49)(H2,37,50)(H,42,48)(H,43,53)(H,44,52)(H,45,51)(H,46,54)(H4,38,39,40)/p+1/t20-,21+,23-,24-,25-,26-,28-,29-/m0/s1 | Synonyms: | p2/NC | Definition date: | 2008-03-24 | Last modified: | 2021-03-01 | Identifier: | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide |
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| 2NV | Name: | 3,6,9,12,15-pentaoxaoctadecan-17-amine | Formula: | C13 H29 N O5 | SMILES: | NC(C)COCCOCCOCCOCCOCC | InChi: | InChI=1S/C13H29NO5/c1-3-15-4-5-16-6-7-17-8-9-18-10-11-19-12-13(2)14/h13H,3-12,14H2,1-2H3/t13-/m1/s1 | Synonyms: | Jeffamine ED-2001 | Definition date: | 2014-04-21 | Last modified: | 2021-03-01 | Release date: | 2014-04-30 | Identifier: | (17R)-3,6,9,12,15-pentaoxaoctadecan-17-amine |
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| B31 | Name: | (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide | Formula: | C21 H41 N5 O12 | SMILES: | O=C(NC3C(O)C(OC1OC(C(O)C1O)CO)C(OC2OC(CN)C(O)C(O)C2N)C(N)C3)C(O)CCN | InChi: | InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8-,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21-/m0/s1 | Synonyms: | Butirosin A | Definition date: | 2009-05-10 | Last modified: | 2021-03-01 | Identifier: | (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide |
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| B32 | Name: | 5'-S-[2-(decylamino)ethyl]-5'-thioadenosine | Formula: | C22 H38 N6 O3 S | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSCCNCCCCCCCCCC)N | InChi: | InChI=1S/C22H38N6O3S/c1-2-3-4-5-6-7-8-9-10-24-11-12-32-13-16-18(29)19(30)22(31-16)28-15-27-17-20(23)25-14-26-21(17)28/h14-16,18-19,22,24,29-30H,2-13H2,1H3,(H2,23,25,26)/t16-,18-,19-,22-/m1/s1 | Synonyms: | S-adenosyl-N-decyl-aminoethyl (SADAE) | Definition date: | 2009-05-04 | Last modified: | 2021-03-01 | Identifier: | 5'-S-[2-(decylamino)ethyl]-5'-thioadenosine |
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| B4Q | Name: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine | Formula: | C25 H27 N3 | SMILES: | CCc1ccccc1c2ccc(CNCCc3[nH]c4ccccc4n3)cc2C | InChi: | InChI=1S/C25H27N3/c1-3-20-8-4-5-9-22(20)21-13-12-19(16-18(21)2)17-26-15-14-25-27-23-10-6-7-11-24(23)28-25/h4-13,16,26H,3,14-15,17H2,1-2H3,(H,27,28) | Synonyms: | CAM4739 | Definition date: | 2017-09-09 | Last modified: | 2021-03-01 | Release date: | 2018-02-28 | Identifier: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine |
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| B65 | Name: | (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid | Formula: | C16 H19 O7 P S | SMILES: | O=S(=O)(O)C(P(=O)(O)O)CCCc2cc(Oc1ccccc1)ccc2 | InChi: | InChI=1S/C16H19O7PS/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22)/t16-/m1/s1 | Synonyms: | BPH-652 | Definition date: | 2007-11-14 | Last modified: | 2021-03-01 | Identifier: | (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid |
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| V2A | Name: | neoseptin 3 | Formula: | C29 H34 N2 O4 | SMILES: | C(c1ccccc1)CC(C(OC(C)(C)C)=O)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N | InChi: | InChI=1S/C29H34N2O4/c1-29(2,3)35-28(34)26(18-12-20-7-5-4-6-8-20)31-27(33)23-14-17-25(30)22(19-23)13-9-21-10-15-24(32)16-11-21/h4-8,10-11,14-17,19,26,32H,9,12-13,18,30H2,1-3H3,(H,31,33)/t26-/m0/s1 | Synonyms: | tert-butyl (2S)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzene-1-carbonyl}amino)-4-phenylbutanoate | Definition date: | 2020-06-17 | Last modified: | 2021-03-01 | Release date: | 2020-07-01 | Identifier: | tert-butyl (2S)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzene-1-carbonyl}amino)-4-phenylbutanoate |
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| V2H | Name: | (1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol | Formula: | C28 H44 O2 | SMILES: | OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(/C=C/C(C)C(C)C)C)CCC12)CC(O)C3 | InChi: | InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1 | Synonyms: | 1-alpha-hydroxy-vitamin D2 | Definition date: | 2008-07-02 | Last modified: | 2021-03-01 | Identifier: | (1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol |
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| B6Y | Name: | (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C26 H46 N4 O10 S | SMILES: | C(=O)(NC(C(=O)NC(CC1CCNC1=O)C(S(=O)(=O)O)O)CC(C)C)OC2(CCN(CC2)C(=O)OC(C)(C)C)CC | InChi: | InChI=1S/C26H46N4O10S/c1-7-26(9-12-30(13-10-26)24(35)40-25(4,5)6)39-23(34)29-18(14-16(2)3)21(32)28-19(22(33)41(36,37)38)15-17-8-11-27-20(17)31/h16-19,22,33H,7-15H2,1-6H3,(H,27,31)(H,28,32)(H,29,34)(H,36,37,38)/t17-,18-,19-,22+/m0/s1 | Synonyms: | bound form | Definition date: | 2017-08-02 | Last modified: | 2021-03-01 | Release date: | 2018-04-04 | Identifier: | (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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| B7A | Name: | 2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate) | Formula: | C10 H15 N2 O15 P3 | SMILES: | C2(COP(=O)(O)OP(O)(OP(=O)(O)O)=O)C(CC(N1C(NC(C(C=O)=C1)=O)=O)O2)O | InChi: | InChI=1S/C10H15N2O15P3/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,6-8,14H,1,4H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1 | Synonyms: | 5-FodUTP | Definition date: | 2017-08-03 | Last modified: | 2021-03-01 | Release date: | 2017-09-13 | Identifier: | 2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate) |
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| B7J | Name: | 2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate) | Formula: | C10 H16 N3 O14 P3 | SMILES: | C2(COP(=O)(O)OP(O)(OP(O)(O)=O)=O)C(CC(N1C(N=C(C(C=O)=C1)N)=O)O2)O | InChi: | InChI=1S/C10H16N3O14P3/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,6-8,15H,1,4H2,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1 | Synonyms: | 5-FodCTP | Definition date: | 2017-08-03 | Last modified: | 2021-03-01 | Release date: | 2017-09-13 | Identifier: | 2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate) |
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