 | | AC0 | | Name: | 1-PHENYLETHANONE | | Formula: | C8 H8 O | | SMILES: | O=C(c1ccccc1)C | | InChi: | InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 | | Synonyms: | ACETOPHENONE | | Definition date: | 2005-05-10 | | Last modified: | 2021-03-01 | | Identifier: | 1-phenylethanone |
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 | | BY6 | | Name: | [(2S,3R,4R,5S,6S)-2-[(3R,4R,5R,6R)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2S,3R,4R)-5-[[(2R,3S)-1-[2-[4-[4-[3-[4-(3-aminopropylamino)butylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(3H-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate | | Formula: | C60 H96 N20 O21 S2 | | SMILES: | O=C(N)CC(NCC(C(=O)N)N)c1nc(N)c(c(n1)C(=O)NC(C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c3nc(C(=O)NCCCNCCCCNCCCN)cs3)C(O)C)C)C(OC5OC(CO)C(O)C(O)C5OC4OC(CO)C(O)C(OC(=O)N)C4O)c6ncnc6)C | | InChi: | InChI=1S/C60H96N20O21S2/c1-25-38(77-51(80-49(25)64)30(17-36(63)84)72-18-29(62)50(65)90)55(94)79-40(46(31-19-69-24-73-31)99-59-48(44(88)42(86)34(20-81)98-59)100-58-45(89)47(101-60(66)96)43(87)35(21-82)97-58)56(95)74-27(3)41(85)26(2)52(91)78-39(28(4)83)54(93)71-16-9-37-75-33(23-102-37)57-76-32(22-103-57)53(92)70-15-8-14-68-12-6-5-11-67-13-7-10-61/h19,22-24,26-30,34-35,39-48,58-59,67-68,72,81-83,85-89H,5-18,20-21,61-62H2,1-4H3,(H2,63,84)(H2,65,90)(H2,66,96)(H,69,73)(H,70,92)(H,71,93)(H,74,95)(H,78,91)(H,79,94)(H2,64,77,80)/t26-,27+,28+,29-,30-,34-,35+,39-,40-,41-,42+,43+,44-,45-,46-,47-,48-,58+,59-/m0/s1 | | Synonyms: | Bleomycin A6 | | Definition date: | 2008-02-13 | | Last modified: | 2021-03-01 | | Identifier: | (2R,3S,4S,5R,6R)-2-{[(2R,3S,4S,5S,6S)-2-{[(1R,2S)-2-[({6-amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methylpyrimidin-4-yl}carbonyl)amino]-3-{[(1R,2S,3S)-4-{[(1S,2R)-1-{[2-(4-{[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]carbamoyl}-2,4'-bi-1,3-thiazol-2'-yl)ethyl]carbamoyl}-2-hydroxypropyl]amino}-2-hydroxy-1,3-dimethyl-4-oxobutyl]amino}-1-(1H-imidazol-4-yl)-3-oxopropyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl carbamate (non-preferred name) |
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 | | BZ1 | | Name: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE | | Formula: | C12 H21 N3 O5 S3 | | SMILES: | O=S(=O)(c1sc2c(c1)C(NCC)CN(S2(=O)=O)CCCOC)N | | InChi: | InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 | | Synonyms: | Brinzolamide | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (4R)-4-(ethylamino)-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
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 | | BZG | | Name: | 6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-9H-PURIN-2-AMINE | | Formula: | C17 H20 N5 O7 P | | SMILES: | O=P(O)(O)OCC4OC(n3cnc2c3nc(nc2OCc1ccccc1)N)CC4O | | InChi: | InChI=1S/C17H20N5O7P/c18-17-20-15-14(16(21-17)27-7-10-4-2-1-3-5-10)19-9-22(15)13-6-11(23)12(29-13)8-28-30(24,25)26/h1-5,9,11-13,23H,6-8H2,(H2,18,20,21)(H2,24,25,26)/t11-,12+,13+/m0/s1 | | Synonyms: | O6-BENZYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE | | Definition date: | 2007-01-17 | | Last modified: | 2021-03-01 | | Identifier: | 6-(benzyloxy)-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-2-amine |
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 | | C04 | | Name: | (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | | Formula: | C16 H15 N5 O7 S2 | | SMILES: | O=C(O)CON=C(c1nc(sc1)N)C(=O)NC3C(=O)N2C(=C(C=C)CSC23)C(=O)O | | InChi: | InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1 | | Synonyms: | Cefixime | | Definition date: | 2013-05-13 | | Last modified: | 2021-03-01 | | Release date: | 2013-06-05 | | Identifier: | (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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 | | C1N | | Name: | N-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~-[3-FLUORO-1-(4-HYDROXYBENZYL)-2-OXOPROPYL]LEUCINAMIDE | | Formula: | C30 H40 F N3 O6 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(C(=O)CF)Cc2ccc(O)cc2)CC(C)C)CC(C)C | | InChi: | InChI=1S/C30H40FN3O6/c1-19(2)14-25(28(37)32-24(27(36)17-31)16-21-10-12-23(35)13-11-21)33-29(38)26(15-20(3)4)34-30(39)40-18-22-8-6-5-7-9-22/h5-13,19-20,24-26,35H,14-18H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)/t24-,25-,26-/m0/s1 | | Synonyms: | CBZ-LEU-LEU-TYR-CH2F | | Definition date: | 2005-04-19 | | Last modified: | 2021-03-01 | | Identifier: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1S)-3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]-L-leucinamide |
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 | | C1Y | | Name: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-propylpyrrolidin-3-ol | | Formula: | C14 H21 N5 O | | SMILES: | c12ncnc(c1ncc2CN3CC(O)C(CCC)C3)N | | InChi: | InChI=1S/C14H21N5O/c1-2-3-9-5-19(7-11(9)20)6-10-4-16-13-12(10)17-8-18-14(13)15/h4,8-9,11,16,20H,2-3,5-7H2,1H3,(H2,15,17,18)/t9-,11-/m0/s1 | | Synonyms: | 5'-deoxy-5'-Propyl-DADMe-Immucillin-A | | Definition date: | 2017-09-11 | | Last modified: | 2021-03-01 | | Release date: | 2018-09-12 | | Identifier: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-propylpyrrolidin-3-ol |
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 | | C20 | | Name: | ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-BENZYL-VAL-NH-ACETYL | | Formula: | C31 H51 N5 O5 | | SMILES: | O=C(NC(C(=O)NC(Cc1ccccc1)C(O)CN(NC(=O)C(NC(=O)C)C(C)C)CC2CCCCC2)C(C)C)C | | InChi: | InChI=1S/C31H51N5O5/c1-20(2)28(32-22(5)37)30(40)34-26(17-24-13-9-7-10-14-24)27(39)19-36(18-25-15-11-8-12-16-25)35-31(41)29(21(3)4)33-23(6)38/h7,9-10,13-14,20-21,25-29,39H,8,11-12,15-19H2,1-6H3,(H,32,37)(H,33,38)(H,34,40)(H,35,41)/t26-,27-,28-,29-/m0/s1 | | Synonyms: | CGP 53820 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-2-(acetylamino)-N-[(1S,2S)-3-{2-[(2S)-2-(acetylamino)-3-methylbutanoyl]-1-(cyclohexylmethyl)hydrazino}-1-benzyl-2-hydroxypropyl]-3-methylbutanamide (non-preferred name) |
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 | | C2G | | Name: | [CYTIDINE-5'-PHOSPHATE] GLYCERYLPHOSPHORIC ACID ESTER | | Formula: | C12 H21 N3 O13 P2 | | SMILES: | O=P(O)(OCC(O)CO)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O | | InChi: | InChI=1S/C12H21N3O13P2/c13-8-1-2-15(12(20)14-8)11-10(19)9(18)7(27-11)5-26-30(23,24)28-29(21,22)25-4-6(17)3-16/h1-2,6-7,9-11,16-19H,3-5H2,(H,21,22)(H,23,24)(H2,13,14,20)/t6-,7+,9+,10+,11+/m0/s1 | | Synonyms: | CYTIDINE 5'-DIPHOSPHOGLYCEROL | | Definition date: | 2002-10-29 | | Last modified: | 2021-03-01 | | Identifier: | 5'-O-[(S)-{[(R)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine |
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 | | C2N | | Name: | 3-chloro-D-alanine | | Formula: | C3 H6 Cl N O2 | | SMILES: | ClCC(N)C(=O)O | | InChi: | InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1 | | Synonyms: | 3-CHLOROALANINATE | | Definition date: | 2004-08-30 | | Last modified: | 2021-03-01 | | Identifier: | 3-chloro-D-alanine |
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 | | C3M | | Name: | N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE | | Formula: | C20 H22 N2 O3 S | | SMILES: | O=S(=O)(c2cc1ccccc1cc2)NCC(O)C(N)Cc3ccccc3 | | InChi: | InChI=1S/C20H22N2O3S/c21-19(12-15-6-2-1-3-7-15)20(23)14-22-26(24,25)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19-20,22-23H,12,14,21H2/t19-,20+/m0/s1 | | Synonyms: | INHIBITOR OF THROMBIN | | Definition date: | 2005-12-08 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]naphthalene-2-sulfonamide |
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 | | C3S | | Name: | CHOLEST-5-EN-3-YL HYDROGEN SULFATE | | Formula: | C27 H46 O4 S | | SMILES: | O=S(=O)(O)OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C | | InChi: | InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 | | Synonyms: | CHOLESTEROL-SULFATE | | Definition date: | 2004-01-23 | | Last modified: | 2021-03-01 | | Identifier: | (3alpha,8alpha,17alpha)-cholest-5-en-3-yl hydrogen sulfate |
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 | | C4H | | Name: | N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-3-SULFANYLPROPANAMIDE | | Formula: | C19 H27 N3 O3 S2 | | SMILES: | O=C(NCCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C)CCS | | InChi: | InChI=1S/C19H27N3O3S2/c1-22(2)17-9-5-8-16-15(17)7-6-10-18(16)27(24,25)21-13-4-3-12-20-19(23)11-14-26/h5-10,21,26H,3-4,11-14H2,1-2H3,(H,20,23) | | Synonyms: | N-[2-(5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO)BUTHYL]-3-MERCAPTOPROPIONAMIDE | | Definition date: | 2005-03-18 | | Last modified: | 2021-03-01 | | Identifier: | N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]-3-sulfanylpropanamide |
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 | | C4M | | Name: | N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE | | Formula: | C20 H28 N2 O4 S | | SMILES: | O=S(=O)(c1c(cc(OC)c(c1C)C)C)NCC(O)C(N)Cc2ccccc2 | | InChi: | InChI=1S/C20H28N2O4S/c1-13-10-19(26-4)14(2)15(3)20(13)27(24,25)22-12-18(23)17(21)11-16-8-6-5-7-9-16/h5-10,17-18,22-23H,11-12,21H2,1-4H3/t17-,18+/m0/s1 | | Synonyms: | INHIBITOR OF THROMBIN | | Definition date: | 2005-12-09 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide |
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 | | C5R | | Name: | (2S)-2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid | | Formula: | C31 H38 N2 O3 | | SMILES: | CC(C)c1ccc2c(CC[CH]3[C](C)(CCC[C]23C)C(=O)N[CH](Cc4c[nH]c5ccccc45)C(O)=O)c1 | | InChi: | InChI=1S/C31H38N2O3/c1-19(2)20-10-12-24-21(16-20)11-13-27-30(24,3)14-7-15-31(27,4)29(36)33-26(28(34)35)17-22-18-32-25-9-6-5-8-23(22)25/h5-6,8-10,12,16,18-19,26-27,32H,7,11,13-15,17H2,1-4H3,(H,33,36)(H,34,35)/t26-,27+,30+,31+/m0/s1 | | Synonyms: | N-Dehydroabietoyl-L-Tryptophan | | Definition date: | 2019-04-10 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-18 | | Identifier: | (2~{S})-2-[[(1~{R},4~{a}~{S},10~{a}~{R})-1,4~{a}-dimethyl-7-propan-2-yl-2,3,4,9,10,10~{a}-hexahydrophenanthren-1-yl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid |
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 | | C6F | | Name: | 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide | | Formula: | C29 H44 N8 O3 | | SMILES: | CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N4CCN(C)CC4)c(OC)c2)nc1NC5CCOCC5 | | InChi: | InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34) | | Synonyms: | gilteritinib | | Definition date: | 2019-04-10 | | Last modified: | 2021-03-01 | | Release date: | 2019-11-20 | | Identifier: | 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide |
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 | | C6P | | Name: | N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE | | Formula: | C11 H17 N2 O7 P S | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CS | | InChi: | InChI=1S/C11H17N2O7PS/c1-6-10(14)8(3-13-9(5-22)11(15)16)7(2-12-6)4-20-21(17,18)19/h2,9,13-14,22H,3-5H2,1H3,(H,15,16)(H2,17,18,19)/t9-/m0/s1 | | Synonyms: | 4-((1-CARBOXY-2-THIOL-ETHYLAMINO)-METHYL)-3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDINIUM | | Definition date: | 2006-09-22 | | Last modified: | 2021-03-01 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-cysteine |
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 | | C7G | | Name: | [(2~{R},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{S},4~{S},5~{S})-5-[[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate | | Formula: | C25 H36 N10 O23 P4 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O[CH]5[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O[CH]5n6cnc7c(N)ncnc67)[CH](O)[CH]4O)[CH](O)[CH]3O | | InChi: | InChI=1S/C25H36N10O23P4/c26-19-11-21(30-4-28-19)34(6-32-11)23-16(39)13(36)8(53-23)1-51-61(46,47)58-62(48,49)52-2-9-14(37)17(40)25(55-9)56-18-15(38)10(3-50-60(44,45)57-59(41,42)43)54-24(18)35-7-33-12-20(27)29-5-31-22(12)35/h4-10,13-18,23-25,36-40H,1-3H2,(H,44,45)(H,46,47)(H,48,49)(H2,26,28,30)(H2,27,29,31)(H2,41,42,43)/t8-,9+,10-,13+,14-,15+,16+,17+,18+,23+,24+,25+/m1/s1 | | Synonyms: | DIADPR | | Definition date: | 2017-09-15 | | Last modified: | 2021-03-01 | | Release date: | 2019-01-09 | | Identifier: | [(2~{R},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{S},4~{S},5~{S})-5-[[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate |
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 | | C7R | | Name: | 2'-deoxy-5'-O-thiophosphonocytidine | | Formula: | C9 H14 N3 O6 P S | | SMILES: | P(S)(O)(OCC1OC(CC1O)N2C=CC(=NC2=O)N)=O | | InChi: | InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1 | | Synonyms: | 2'-deoxy-5'-O-thiophosphonocytidine (thiophospho connection isoform 1) | | Definition date: | 2016-04-28 | | Last modified: | 2021-03-01 | | Release date: | 2016-06-22 | | Identifier: | 2'-deoxy-5'-O-thiophosphonocytidine |
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 | | C7S | | Name: | 2'-deoxy-5'-O-thiophosphonocytidine | | Formula: | C9 H14 N3 O6 P S | | SMILES: | P(=O)(O)(OCC1C(CC(O1)N2C=CC(=NC2=O)N)O)S | | InChi: | InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1 | | Synonyms: | 2'-deoxy-5'-O-thiophosphonocytidine (thiophospho connection isoform 2) | | Definition date: | 2016-04-28 | | Last modified: | 2021-03-01 | | Release date: | 2016-06-22 | | Identifier: | 2'-deoxy-5'-O-thiophosphonocytidine |
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 | | C8V | | Name: | (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide | | Formula: | C13 H23 N5 O7 S | | SMILES: | O=S(ONC1CN(C=O)C(CC1)C(=O)NNC(C2CNCCC2)=O)(O)=O | | InChi: | InChI=1S/C13H23N5O7S/c19-8-18-7-10(17-25-26(22,23)24)3-4-11(18)13(21)16-15-12(20)9-2-1-5-14-6-9/h8-11,14,17H,1-7H2,(H,15,20)(H,16,21)(H,22,23,24)/t9-,10-,11+/m1/s1 | | Synonyms: | OPEN FORM - Zidebactam | | Definition date: | 2017-09-19 | | Last modified: | 2021-03-01 | | Release date: | 2018-08-01 | | Identifier: | (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide |
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 | | C8Y | | Name: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile | | Formula: | C7 H11 N3 O5 S | | SMILES: | O=S(O)(=O)ONC1CCC(C#N)N(C=O)C1 | | InChi: | InChI=1S/C7H11N3O5S/c8-3-7-2-1-6(4-10(7)5-11)9-15-16(12,13)14/h5-7,9H,1-2,4H2,(H,12,13,14)/t6-,7+/m1/s1 | | Synonyms: | open form - WCK 4234 | | Definition date: | 2017-09-19 | | Last modified: | 2021-03-01 | | Release date: | 2018-08-01 | | Identifier: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile |
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 | | C93 | | Name: | 3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid | | Formula: | C13 H15 N O5 | | SMILES: | O=C(O)c1c(c(ccc1)N2CCC(O)CC2)C(=O)O | | InChi: | InChI=1S/C13H15NO5/c15-8-4-6-14(7-5-8)10-3-1-2-9(12(16)17)11(10)13(18)19/h1-3,8,15H,4-7H2,(H,16,17)(H,18,19) | | Synonyms: | 3-(4-hydroxypiperidine-1-yl) phthalic acid | | Definition date: | 2014-08-19 | | Last modified: | 2021-03-01 | | Release date: | 2014-10-15 | | Identifier: | 3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid |
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 | | C9C | | Name: | 4-(2-hydroxyethyloxycarbonyl)benzoic acid | | Formula: | C10 H10 O5 | | SMILES: | OCCOC(=O)c1ccc(cc1)C(O)=O | | InChi: | InChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13) | | Synonyms: | monohydroxyethyl terephthalate | | Definition date: | 2019-04-16 | | Last modified: | 2021-03-01 | | Release date: | 2020-04-15 | | Identifier: | 4-(2-hydroxyethyloxycarbonyl)benzoic acid |
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 | | C9D | | Name: | (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide | | Formula: | C12 H21 N5 O7 S | | SMILES: | O=S(ONC1CN(C=O)C(CC1)C(=O)NNC(C2CNCC2)=O)(O)=O | | InChi: | InChI=1S/C12H21N5O7S/c18-7-17-6-9(16-24-25(21,22)23)1-2-10(17)12(20)15-14-11(19)8-3-4-13-5-8/h7-10,13,16H,1-6H2,(H,14,19)(H,15,20)(H,21,22,23)/t8-,9-,10+/m1/s1 | | Synonyms: | open form - WCK 5153 | | Definition date: | 2017-09-20 | | Last modified: | 2021-03-01 | | Release date: | 2018-08-01 | | Identifier: | (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide |
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