 | | C5C | | Name: | S-CYCLOPENTYL THIOCYSTEINE | | Formula: | C8 H15 N O2 S2 | | SMILES: | O=C(O)C(N)CSSC1CCCC1 | | InChi: | InChI=1S/C8H15NO2S2/c9-7(8(10)11)5-12-13-6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-(cyclopentyldisulfanyl)-L-alanine |
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 | | C5S | | Name: | N-formyl-D-aspartic acid | | Formula: | C5 H7 N O5 | | SMILES: | C(C(=O)O)C(C(O)=O)NC=O | | InChi: | InChI=1S/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)/t3-/m1/s1 | | Definition date: | 2017-09-13 | | Last modified: | 2024-09-27 | | Release date: | 2018-02-21 | | Identifier: | N-formyl-D-aspartic acid |
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 | | C5W | | Name: | 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylic acid | | Formula: | C25 H28 N6 O4 | | SMILES: | COc1ncc(cc1C(O)=O)c2cc3n[nH]cc3c(c2)c4oc(CN5CCN(CC5)C(C)C)cn4 | | InChi: | InChI=1S/C25H28N6O4/c1-15(2)31-6-4-30(5-7-31)14-18-12-27-24(35-18)19-8-16(10-22-21(19)13-28-29-22)17-9-20(25(32)33)23(34-3)26-11-17/h8-13,15H,4-7,14H2,1-3H3,(H,28,29)(H,32,33) | | Definition date: | 2017-11-14 | | Last modified: | 2024-09-27 | | Release date: | 2017-12-20 | | Identifier: | 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylic acid |
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 | | C63 | | Name: | (2R)-2,3-bis(hexyloxy)propyl hydrogen (S)-pentylphosphonate | | Formula: | C20 H43 O5 P | | SMILES: | O=P(OCC(OCCCCCC)COCCCCCC)(O)CCCCC | | InChi: | InChI=1S/C20H43O5P/c1-4-7-10-12-15-23-18-20(24-16-13-11-8-5-2)19-25-26(21,22)17-14-9-6-3/h20H,4-19H2,1-3H3,(H,21,22)/t20-/m1/s1 | | Definition date: | 2014-04-16 | | Last modified: | 2024-09-27 | | Release date: | 2014-08-27 | | Identifier: | (2R)-2,3-bis(hexyloxy)propyl hydrogen (S)-pentylphosphonate |
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 | | C67 | | Name: | N~5~-[N-(2-carboxyethyl)carbamimidoyl]-L-ornithine | | Formula: | C9 H18 N4 O4 | | SMILES: | NC(C(=O)O)CCCNC(=N)NCCC(O)=O | | InChi: | InChI=1S/C9H18N4O4/c10-6(8(16)17)2-1-4-12-9(11)13-5-3-7(14)15/h6H,1-5,10H2,(H,14,15)(H,16,17)(H3,11,12,13)/t6-/m0/s1 | | Definition date: | 2017-09-13 | | Last modified: | 2024-09-27 | | Release date: | 2017-12-13 | | Identifier: | N~5~-[N-(2-carboxyethyl)carbamimidoyl]-L-ornithine |
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 | | C6C | | Name: | S-CYCLOHEXYL THIOCYSTEINE | | Formula: | C9 H17 N O2 S2 | | SMILES: | O=C(O)C(N)CSSC1CCCCC1 | | InChi: | InChI=1S/C9H17NO2S2/c10-8(9(11)12)6-13-14-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-(cyclohexyldisulfanyl)-L-alanine |
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 | | C6D | | Name: | N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-L-ornithine | | Formula: | C9 H20 N4 O3 | | SMILES: | NC(C(=O)O)CCCNC(=N)NCCCO | | InChi: | InChI=1S/C9H20N4O3/c10-7(8(15)16)3-1-4-12-9(11)13-5-2-6-14/h7,14H,1-6,10H2,(H,15,16)(H3,11,12,13)/t7-/m0/s1 | | Definition date: | 2017-09-13 | | Last modified: | 2024-09-27 | | Release date: | 2017-12-13 | | Identifier: | N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-L-ornithine |
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 | | C7A | | Name: | N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide | | Formula: | C25 H32 Cl N3 O2 | | SMILES: | CC(C)(C)c1ccc(cc1)N(C(=O)CCl)C(c1cccnc1)C(=O)NC1CCCCC1 | | InChi: | InChI=1S/C25H32ClN3O2/c1-25(2,3)19-11-13-21(14-12-19)29(22(30)16-26)23(18-8-7-15-27-17-18)24(31)28-20-9-5-4-6-10-20/h7-8,11-15,17,20,23H,4-6,9-10,16H2,1-3H3,(H,28,31)/t23-/m1/s1 | | Definition date: | 2021-04-29 | | Last modified: | 2024-09-27 | | Release date: | 2021-12-22 | | Identifier: | N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide |
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 | | C7Q | | Name: | (3~{S},14~{E})-19-chloranyl-~{N}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide | | Formula: | C25 H26 Cl N3 O3 | | SMILES: | Clc1cc2C[CH](NC(=O)c3ccccc3CCC=CCOc1cc2)C(=O)NC4(CC4)C=N | | InChi: | InChI=1S/C25H26ClN3O3/c26-20-14-17-9-10-22(20)32-13-5-1-2-6-18-7-3-4-8-19(18)23(30)28-21(15-17)24(31)29-25(16-27)11-12-25/h1,3-5,7-10,14,16,21,27H,2,6,11-13,15H2,(H,28,30)(H,29,31)/b5-1+,27-16-/t21-/m0/s1 | | Definition date: | 2017-11-17 | | Last modified: | 2024-09-27 | | Release date: | 2018-04-11 | | Identifier: | (3~{S},14~{E})-19-chloranyl-~{N}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide |
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 | | C8D | | Name: | N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE | | Formula: | C29 H40 B N4 O8 | | SMILES: | O=C(N3C(C(=O)NC(B([O-])O)CCO)CC(Oc1nccc2c1cccc2)C3)C(NC(=O)OC4CCCC4)C(C)(C)C | | InChi: | InChI=1S/C29H40BN4O8/c1-29(2,3)24(33-28(38)42-19-9-5-6-10-19)27(37)34-17-20(16-22(34)25(36)32-23(13-15-35)30(39)40)41-26-21-11-7-4-8-18(21)12-14-31-26/h4,7-8,11-12,14,19-20,22-24,35,39H,5-6,9-10,13,15-17H2,1-3H3,(H,32,36)(H,33,38)/q-1/t20-,22+,23+,24-/m1/s1 | | Definition date: | 2010-04-23 | | Last modified: | 2024-09-27 | | Identifier: | N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-{(1R)-3-hydroxy-1-[hydroxy(oxido)boranyl]propyl}-4-(isoquinolin-1-yloxy)-L-prolinamide |
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 | | C8G | | Name: | 1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one | | Formula: | C18 H24 Cl2 N4 O3 | | SMILES: | O=C(N1CC(C1)N3CCN(C(CNc2c(cc(c(c2)Cl)Cl)O)=O)CC3)CC | | InChi: | InChI=1S/C18H24Cl2N4O3/c1-2-17(26)24-10-12(11-24)22-3-5-23(6-4-22)18(27)9-21-15-7-13(19)14(20)8-16(15)25/h7-8,12,21,25H,2-6,9-11H2,1H3 | | Definition date: | 2017-09-18 | | Last modified: | 2024-09-27 | | Release date: | 2018-05-16 | | Identifier: | 1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one |
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 | | C8S | | Name: | (2S)-2-amino-1-[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(1r,3R,5S,7S)-3,5-dihydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-one | | Formula: | C18 H29 N3 O3 | | SMILES: | C1C2(CC3(CC1(CC(C2)C3)C(N)C(N4C(CC5C4C5)CN)=O)O)O | | InChi: | InChI=1S/C18H29N3O3/c19-6-12-1-11-2-13(11)21(12)15(22)14(20)16-3-10-4-17(23,7-16)9-18(24,5-10)8-16/h10-14,23-24H,1-9,19-20H2/t10-,11-,12+,13+,14-,16-,17+,18-/m1/s1 | | Definition date: | 2017-09-19 | | Last modified: | 2024-09-27 | | Release date: | 2017-09-27 | | Identifier: | (2S)-2-amino-1-[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(1r,3R,5S,7S)-3,5-dihydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-one |
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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: | 2024-09-27 | | 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: | 2024-09-27 | | Release date: | 2018-08-01 | | Identifier: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile |
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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: | 2024-09-27 | | 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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 | | C9K | | Name: | 2-[[(2~{S})-2-azanylpropyl]amino]ethanol | | Formula: | C5 H14 N2 O | | SMILES: | C[CH](N)CNCCO | | InChi: | InChI=1S/C5H14N2O/c1-5(6)4-7-2-3-8/h5,7-8H,2-4,6H2,1H3/t5-/m0/s1 | | Definition date: | 2017-11-23 | | Last modified: | 2024-09-27 | | Release date: | 2018-07-18 | | Identifier: | 2-[[(2~{S})-2-azanylpropyl]amino]ethanol |
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 | | C9N | | Name: | 2-[[(2~{S})-2-azanylpropyl]-methyl-amino]ethanol | | Formula: | C6 H16 N2 O | | SMILES: | C[CH](N)CN(C)CCO | | InChi: | InChI=1S/C6H16N2O/c1-6(7)5-8(2)3-4-9/h6,9H,3-5,7H2,1-2H3/t6-/m0/s1 | | Definition date: | 2017-11-23 | | Last modified: | 2024-09-27 | | Release date: | 2018-07-18 | | Identifier: | 2-[[(2~{S})-2-azanylpropyl]-methyl-amino]ethanol |
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 | | C9P | | Name: | 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid | | Formula: | C17 H14 B N O8 S3 | | SMILES: | O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cc(B(O)O)ccc2C(=O)O)c3ccccc3 | | InChi: | InChI=1S/C17H14BNO8S3/c20-17(21)14-7-6-11(18(22)23)8-15(14)19-30(26,27)16-9-13(10-28-16)29(24,25)12-4-2-1-3-5-12/h1-10,19,22-23H,(H,20,21) | | Synonyms: | 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-4-CARBOXY-PHENYLBORONIC ACID | | Definition date: | 2007-12-20 | | Last modified: | 2024-09-27 | | Identifier: | 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid |
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 | | C9T | | Name: | (2~{R})-2-methyloctanoic acid | | Formula: | C9 H18 O2 | | SMILES: | CCCCCC[CH](C)C(O)=O | | InChi: | InChI=1S/C9H18O2/c1-3-4-5-6-7-8(2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m1/s1 | | Definition date: | 2017-11-23 | | Last modified: | 2024-09-27 | | Release date: | 2018-07-18 | | Identifier: | (2~{R})-2-methyloctanoic acid |
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 | | CA6 | | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-4-[[3-(4-methylsulfonylbutylamino)-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | | Formula: | C24 H42 N7 O18 P3 S | | SMILES: | O=S(=O)(C)CCCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C24H42N7O18P3S/c1-24(2,19(34)22(35)27-8-6-15(32)26-7-4-5-9-53(3,43)44)11-46-52(41,42)49-51(39,40)45-10-14-18(48-50(36,37)38)17(33)23(47-14)31-13-30-16-20(25)28-12-29-21(16)31/h12-14,17-19,23,33-34H,4-11H2,1-3H3,(H,26,32)(H,27,35)(H,39,40)(H,41,42)(H2,25,28,29)(H2,36,37,38)/t14-,17-,18-,19+,23-/m1/s1 | | Definition date: | 2012-05-02 | | Last modified: | 2024-09-27 | | Release date: | 2012-10-12 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[4-(methylsulfonyl)butyl]amino}-3-oxopropyl)amino]-4-oxobutyl dihydrogen diphosphate (non-preferred name) |
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 | | CA8 | | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[4-(phenylsulfonyl)butylamino]propyl]amino]butyl] hydrogen phosphate | | Formula: | C29 H44 N7 O18 P3 S | | SMILES: | O=S(=O)(c1ccccc1)CCCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O | | InChi: | InChI=1S/C29H44N7O18P3S/c1-29(2,24(39)27(40)32-12-10-20(37)31-11-6-7-13-58(48,49)18-8-4-3-5-9-18)15-51-57(46,47)54-56(44,45)50-14-19-23(53-55(41,42)43)22(38)28(52-19)36-17-35-21-25(30)33-16-34-26(21)36/h3-5,8-9,16-17,19,22-24,28,38-39H,6-7,10-15H2,1-2H3,(H,31,37)(H,32,40)(H,44,45)(H,46,47)(H2,30,33,34)(H2,41,42,43)/t19-,22-,23-,24+,28-/m1/s1 | | Definition date: | 2012-05-23 | | Last modified: | 2024-09-27 | | Release date: | 2012-10-12 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[4-(phenylsulfonyl)butyl]amino}propyl)amino]butyl dihydrogen diphosphate (non-preferred name) |
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 | | CAB | | Name: | 4,4-dihydroxy-5-oxo-L-norvaline | | Formula: | C5 H9 N O5 | | SMILES: | O=CC(O)(O)CC(C(=O)O)N | | InChi: | InChI=1S/C5H9NO5/c6-3(4(8)9)1-5(10,11)2-7/h2-3,10-11H,1,6H2,(H,8,9)/t3-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 4,4-dihydroxy-5-oxo-L-norvaline |
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 | | CAC | | Name: | CACODYLATE ION | | Formula: | C2 H6 As O2 | | SMILES: | [O-][As](=O)(C)C | | InChi: | InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1 | | Synonyms: | dimethylarsinate | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | dimethylarsinate |
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 | | CAJ | | Name: | ethyl 5-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]pentanoate | | Formula: | C26 H44 N7 O18 P3 | | SMILES: | O=C(OCC)CCCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C26H44N7O18P3/c1-4-46-17(35)7-5-6-9-28-16(34)8-10-29-24(38)21(37)26(2,3)12-48-54(44,45)51-53(42,43)47-11-15-20(50-52(39,40)41)19(36)25(49-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,36-37H,4-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21+,25-/m1/s1 | | Definition date: | 2012-05-23 | | Last modified: | 2024-09-27 | | Release date: | 2012-10-12 | | Identifier: | ethyl (3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaicosan-20-oate 3,5-dioxide (non-preferred name) |
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 | | CAQ | | Name: | CATECHOL | | Formula: | C6 H6 O2 | | SMILES: | Oc1ccccc1O | | InChi: | InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H | | Synonyms: | 1,2-DIHYDROXYBENZENE | | Definition date: | 1999-12-14 | | Last modified: | 2024-09-27 | | Identifier: | benzene-1,2-diol |
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