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2RG

2RG
Name:	(2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid
Formula:	C22 H27 N3 O7 S
SMILES:	O=C(O)c1cc(ccc1)NC(=O)C3NCC(SC2C(=NC(C2C)C(C=O)C(O)C)C(=O)O)C3
InChi:	InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-17,19,23,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14+,15-,16+,17-,19+/m1/s1
Synonyms:	ERTAPENEM, bound form POST-ISOMERIZED
Definition date:	2010-04-07
Last modified:	2024-09-27
Identifier:	(2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid

2RI

2RI
Name:	(2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide
Formula:	C30 H26 F N3 O4
SMILES:	C[CH](O)C(=O)N([CH](C(=O)N[CH](C)c1ccc(F)cc1)c2cccnc2)c3ccc4c(oc5ccccc45)c3
InChi:	InChI=1S/C30H26FN3O4/c1-18(20-9-11-22(31)12-10-20)33-29(36)28(21-6-5-15-32-17-21)34(30(37)19(2)35)23-13-14-25-24-7-3-4-8-26(24)38-27(25)16-23/h3-19,28,35H,1-2H3,(H,33,36)/t18-,19+,28+/m0/s1
Definition date:	2021-07-09
Last modified:	2024-09-27
Release date:	2021-07-21
Identifier:	(2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide

OP0

OP0
Name:	(2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
Formula:	C9 H18 N4 O7 S
SMILES:	O=CN1C(C(=O)NOCCN)CCC(NOS(=O)(=O)O)C1
InChi:	InChI=1S/C9H18N4O7S/c10-3-4-19-12-9(15)8-2-1-7(5-13(8)6-14)11-20-21(16,17)18/h6-8,11H,1-5,10H2,(H,12,15)(H,16,17,18)/t7-,8+/m1/s1
Definition date:	2014-12-09
Last modified:	2024-09-27
Release date:	2015-07-01
Identifier:	(2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide

2RX

2RX
Name:	O-thiophosphono-L-serine
Formula:	C3 H8 N O5 P S
SMILES:	O=P(OCC(C(=O)O)N)(O)S
InChi:	InChI=1S/C3H8NO5PS/c4-2(3(5)6)1-9-10(7,8)11/h2H,1,4H2,(H,5,6)(H2,7,8,11)/t2-/m0/s1
Definition date:	2014-01-14
Last modified:	2024-09-27
Release date:	2014-05-28
Identifier:	O-thiophosphono-L-serine

OPE

OPE
Name:	PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER
Formula:	C2 H8 N O4 P
SMILES:	O=P(O)(O)OCCN
InChi:	InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
Synonyms:	COLAMINE PHOSPHORIC ACID
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-aminoethyl dihydrogen phosphate

OPL

OPL
Name:	(2R,3R)-2,4,4-trihydroxy-3-methylbutanal
Formula:	C5 H10 O4
SMILES:	O=CC(O)C(C)C(O)O
InChi:	InChI=1S/C5H10O4/c1-3(5(8)9)4(7)2-6/h2-5,7-9H,1H3/t3-,4+/m1/s1
Definition date:	2012-12-21
Last modified:	2024-09-27
Release date:	2013-01-18
Identifier:	(2R,3R)-2,4,4-trihydroxy-3-methylbutanal

OPP

OPP
Name:	1-[PYRROL-1-YL-2,5-DIONE-METHOXYMETHYL]-PYRROLE-2,5-DIONE
Formula:	C10 H8 N2 O5
SMILES:	O=C1N(C(=O)C=C1)COCN2C(=O)C=CC2=O
InChi:	InChI=1S/C10H8N2O5/c13-7-1-2-8(14)11(7)5-17-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2
Definition date:	2001-09-06
Last modified:	2024-09-27
Identifier:	1,1'-(oxydimethanediyl)bis(1H-pyrrole-2,5-dione)

O
Name:	OXYGEN ATOM
Formula:	O
SMILES:	O
InChi:	InChI=1S/H2O/h1H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	water

OPR

OPR
Name:	(5S)-5-amino-8-carbamimidamido-4-oxooctanoic acid
Formula:	C9 H18 N4 O3
SMILES:	O=C(C(N)CCCNC(=[N@H])N)CCC(=O)O
InChi:	InChI=1S/C9H18N4O3/c10-6(2-1-5-13-9(11)12)7(14)3-4-8(15)16/h6H,1-5,10H2,(H,15,16)(H4,11,12,13)/t6-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(5S)-5-amino-8-carbamimidamido-4-oxooctanoic acid

OPS

OPS
Name:	3-OXO-3-[(3-OXOPROPYL)SULFANYL]PROPANE-1-THIOLATE
Formula:	C6 H9 O2 S2
SMILES:	O=C(SCCC=O)CC[S-]
InChi:	InChI=1S/C6H10O2S2/c7-3-1-5-10-6(8)2-4-9/h3,9H,1-2,4-5H2/p-1
Synonyms:	2-(3-OXO-PROPYLSULFANYLCARBONYL)-ETHANETHIOLATE
Definition date:	2004-05-06
Last modified:	2024-09-27
Identifier:	3-oxo-3-[(3-oxopropyl)sulfanyl]propane-1-thiolate

2SO

2SO
Name:	3-{3-[(3R)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1H-imidazol-3-ium-5-yl}-L-alanine
Formula:	C24 H38 N3 O4
SMILES:	O=C(O)C(N)Cc1c[n+](cn1CCCCCCCCc2ccccc2)CCC(O)CO
InChi:	InChI=1S/C24H37N3O4/c25-23(24(30)31)16-21-17-26(15-13-22(29)18-28)19-27(21)14-9-4-2-1-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-12,17,19,22-23,28-29H,1-4,6,9-10,13-16,18,25H2/p+1/t22-,23+/m1/s1
Definition date:	2014-01-23
Last modified:	2024-09-27
Release date:	2014-01-29
Identifier:	3-{3-[(3R)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1H-imidazol-3-ium-5-yl}-L-alanine

OQ2

OQ2
Name:	~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
Formula:	C33 H40 F3 N7 O3
SMILES:	CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)cc2C(F)(F)F
InChi:	InChI=1S/C33H40F3N7O3/c1-4-30(44)43-13-11-26(21-43)39-32-37-12-10-29(40-32)46-28-18-23(7-6-22(28)3)31(45)38-25-9-8-24(27(19-25)33(34,35)36)20-42-16-14-41(5-2)15-17-42/h6-10,12,18-19,26H,4-5,11,13-17,20-21H2,1-3H3,(H,38,45)(H,37,39,40)/t26-/m1/s1
Definition date:	2020-03-27
Last modified:	2024-09-27
Release date:	2020-08-12
Identifier:	~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide

OQ8

OQ8
Name:	~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
Formula:	C33 H40 F3 N7 O3
SMILES:	CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)cc2C(F)(F)F
InChi:	InChI=1S/C33H40F3N7O3/c1-4-30(44)43-13-11-26(21-43)39-32-37-12-10-29(40-32)46-28-18-23(7-6-22(28)3)31(45)38-25-9-8-24(27(19-25)33(34,35)36)20-42-16-14-41(5-2)15-17-42/h6-10,12,18-19,26H,4-5,11,13-17,20-21H2,1-3H3,(H,38,45)(H,37,39,40)/t26-/m0/s1
Definition date:	2020-03-27
Last modified:	2024-09-27
Release date:	2020-08-12
Identifier:	~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide

OQB

OQB
Name:	4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-PYRIDINE-3-CARBONYL)-AMINO]-BUTYRIC ACID
Formula:	C26 H22 N6 O5
SMILES:	O=C(O)CC(C=O)NC(=O)c1cnc(cc1)CNC(=O)c4ccc(Nc2nc3c(nc2)cccc3)cc4
InChi:	InChI=1S/C26H22N6O5/c33-15-20(11-24(34)35)31-26(37)17-7-10-19(27-12-17)13-29-25(36)16-5-8-18(9-6-16)30-23-14-28-21-3-1-2-4-22(21)32-23/h1-10,12,14-15,20H,11,13H2,(H,29,36)(H,30,32)(H,31,37)(H,34,35)/t20-/m0/s1
Definition date:	2004-01-09
Last modified:	2024-09-27
Identifier:	(3S)-4-oxo-3-[({6-[({[4-(quinoxalin-2-ylamino)phenyl]carbonyl}amino)methyl]pyridin-3-yl}carbonyl)amino]butanoic acid

2TL

2TL
Name:	D-allothreonine
Formula:	C4 H9 N O3
SMILES:	O=C(O)C(N)C(O)C
InChi:	InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1
Definition date:	2008-06-03
Last modified:	2024-09-27
Identifier:	D-allothreonine

OR7

OR7
Name:	2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide
Formula:	C12 H16 Cl2 N2 O4 S
SMILES:	C(C(Nc1ccc(Cl)c(c1)S(=O)(=O)N(C)CCOC)=O)Cl
InChi:	InChI=1S/C12H16Cl2N2O4S/c1-16(5-6-20-2)21(18,19)11-7-9(3-4-10(11)14)15-12(17)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,17)
Definition date:	2019-07-03
Last modified:	2024-09-27
Release date:	2019-07-24
Identifier:	2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide

2TV

2TV
Name:	(2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C11 H12 N2 O6 S
SMILES:	O=CC(NC=O)C1N=C(C(=COC(=O)C)CS1)C(=O)O
InChi:	InChI=1S/C11H12N2O6S/c1-6(16)19-3-7-4-20-10(8(2-14)12-5-15)13-9(7)11(17)18/h2-3,5,8,10H,4H2,1H3,(H,12,15)(H,17,18)/b7-3+/t8-,10-/m1/s1
Synonyms:	N-formyl 7-aminocephalosporanic acid, bound form
Definition date:	2014-01-30
Last modified:	2024-09-27
Release date:	2014-05-28
Identifier:	(2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

2TY

2TY
Name:	2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-L-TYROSINE
Formula:	C17 H18 N2 O4
SMILES:	O=C(O)C(N)Cc2cc(N=CCc1ccccc1)c(O)cc2O
InChi:	InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,7,9-10,13,20-21H,6,8,18H2,(H,22,23)/b19-7+/t13-/m0/s1
Definition date:	2005-07-07
Last modified:	2024-09-27
Identifier:	2-hydroxy-5-{[(1E)-2-phenylethylidene]amino}-L-tyrosine

ORD

ORD
Name:	D-ORNITHINE
Formula:	C5 H12 N2 O2
SMILES:	O=C(O)C(N)CCCN
InChi:	InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1
Definition date:	2010-09-08
Last modified:	2024-09-27
Identifier:	D-ornithine

ORG

ORG
Name:	4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile
Formula:	C14 H21 N7
SMILES:	N#Cc1nc(NC2CCCCC2)nc(n1)N3CCNCC3
InChi:	InChI=1S/C14H21N7/c15-10-12-18-13(17-11-4-2-1-3-5-11)20-14(19-12)21-8-6-16-7-9-21/h11,16H,1-9H2,(H,17,18,19,20)
Definition date:	2009-12-22
Last modified:	2024-09-27
Identifier:	4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile

2U2

2U2
Name:	(2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid
Formula:	C19 H20 N6 O11 S
SMILES:	O=C(O)C(=NOCC(C=O)NC(=O)C(=NOCC1=CC(=O)C(O)=CN1O)/c2nc(sc2)N)CCC(=O)O
InChi:	InChI=1S/C19H20N6O11S/c20-19-22-12(8-37-19)16(24-36-7-10-3-13(27)14(28)4-25(10)34)17(31)21-9(5-26)6-35-23-11(18(32)33)1-2-15(29)30/h3-5,8-9,28,34H,1-2,6-7H2,(H2,20,22)(H,21,31)(H,29,30)(H,32,33)/b23-11+,24-16-/t9-/m1/s1
Definition date:	2014-02-04
Last modified:	2024-09-27
Release date:	2014-05-07
Identifier:	(2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid

ORH

ORH
Name:	3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
Formula:	C19 H20 F3 N5 O2
SMILES:	FC(F)(F)c1cccc(c1)N2N=C(C#N)C(=O)N(CCCN3CCCCC3)C2=O
InChi:	InChI=1S/C19H20F3N5O2/c20-19(21,22)14-6-4-7-15(12-14)27-18(29)26(17(28)16(13-23)24-27)11-5-10-25-8-2-1-3-9-25/h4,6-7,12H,1-3,5,8-11H2
Definition date:	2009-12-22
Last modified:	2024-09-27
Identifier:	3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carbonitrile

2U3

2U3
Name:	(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide
Formula:	C16 H22 N6 O10 S2
SMILES:	O=S(=O)(O)ONC(C)(C)C(NC(=O)C(=NOCC1=CC(=O)C(O)=CN1O)/c2nc(sc2)N)CO
InChi:	InChI=1S/C16H22N6O10S2/c1-16(2,21-32-34(28,29)30)12(5-23)19-14(26)13(9-7-33-15(17)18-9)20-31-6-8-3-10(24)11(25)4-22(8)27/h3-4,7,12,21,23,25,27H,5-6H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29,30)/b20-13-/t12-/m1/s1
Definition date:	2014-02-04
Last modified:	2024-09-27
Release date:	2014-05-07
Identifier:	(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide

2U4

2U4
Name:	(4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid
Formula:	C25 H24 N6 O14 S
SMILES:	O=C(O)C(N2C(=O)c1cc(O)c(O)cc1C2=O)CC(=NOCC(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N)/C(=O)O
InChi:	InChI=1S/C25H24N6O14S/c1-25(2,23(42)43)45-30-17(13-8-46-24(26)28-13)18(35)27-9(6-32)7-44-29-12(21(38)39)5-14(22(40)41)31-19(36)10-3-15(33)16(34)4-11(10)20(31)37/h3-4,6,8-9,14,33-34H,5,7H2,1-2H3,(H2,26,28)(H,27,35)(H,38,39)(H,40,41)(H,42,43)/b29-12+,30-17-/t9-,14+/m1/s1
Definition date:	2014-02-04
Last modified:	2024-09-27
Release date:	2014-05-07
Identifier:	(4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid

ORM

ORM
Name:	2-chloro-N-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide
Formula:	C11 H14 Cl2 N2 O3 S
SMILES:	C(C(Nc1ccc(Cl)c(c1)S(=O)(=O)NC(C)C)=O)Cl
InChi:	InChI=1S/C11H14Cl2N2O3S/c1-7(2)15-19(17,18)10-5-8(3-4-9(10)13)14-11(16)6-12/h3-5,7,15H,6H2,1-2H3,(H,14,16)
Definition date:	2019-07-03
Last modified:	2024-09-27
Release date:	2019-07-24
Identifier:	2-chloro-N-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide

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