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O87

O87
Name:	4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one
Formula:	C21 H18 F3 N3 O2
SMILES:	O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1cc(ccc1)C(F)(F)F
InChi:	InChI=1S/C21H18F3N3O2/c22-21(23,24)14-4-3-5-15(12-14)26-8-10-27(11-9-26)20(29)17-13-19(28)25-18-7-2-1-6-16(17)18/h1-7,12-13H,8-11H2,(H,25,28)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one

O8L

O8L
Name:	(2S)-2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)propanamide
Formula:	C18 H18 Cl N3 O3
SMILES:	Cc1ccncc1NC(=O)C(C)c1cc(Cl)cc(OC2CC(=O)N2)c1
InChi:	InChI=1S/C18H18ClN3O3/c1-10-3-4-20-9-15(10)21-18(24)11(2)12-5-13(19)7-14(6-12)25-17-8-16(23)22-17/h3-7,9,11,17H,8H2,1-2H3,(H,21,24)(H,22,23)/t11-,17+/m0/s1
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)propanamide

9WV

9WV
Name:	beta-alanyl-3-amino-L-alanine
Formula:	C6 H13 N3 O3
SMILES:	NCC(NC(=O)CCN)C(O)=O
InChi:	InChI=1S/C6H13N3O3/c7-2-1-5(10)9-4(3-8)6(11)12/h4H,1-3,7-8H2,(H,9,10)(H,11,12)/t4-/m0/s1
Definition date:	2017-06-20
Last modified:	2023-11-03
Release date:	2017-10-04
Identifier:	beta-alanyl-3-amino-L-alanine

O9O

O9O
Name:	N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide
Formula:	C23 H18 Cl N3 O3
SMILES:	COc1cccc(Oc2cc(NC(=O)Cc3cncc4ccccc43)cc(Cl)c2)n1
InChi:	InChI=1S/C23H18ClN3O3/c1-29-22-7-4-8-23(27-22)30-19-11-17(24)10-18(12-19)26-21(28)9-16-14-25-13-15-5-2-3-6-20(15)16/h2-8,10-14H,9H2,1H3,(H,26,28)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide

O9X

O9X
Name:	(2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide
Formula:	C10 H12 F2 N2 O2
SMILES:	O=C(Nc1cnccc1C)C(C)OC(F)F
InChi:	InChI=1S/C10H12F2N2O2/c1-6-3-4-13-5-8(6)14-9(15)7(2)16-10(11)12/h3-5,7,10H,1-2H3,(H,14,15)/t7-/m1/s1
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide

9XQ

9XQ
Name:	[azanyl-[(3-carboxyphenyl)amino]methylidene]azanium
Formula:	C8 H10 N3 O2
SMILES:	NC(=[NH2+])Nc1cccc(c1)C(O)=O
InChi:	InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)/p+1
Definition date:	2017-07-27
Last modified:	2023-11-03
Release date:	2018-06-06
Identifier:	[azanyl-[(3-carboxyphenyl)amino]methylidene]azanium

OAO

OAO
Name:	2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide
Formula:	C18 H17 Cl N4 O3
SMILES:	Cc1nc(COc2cc(CC(=O)Nc3cnccc3C)cc(Cl)c2)on1
InChi:	InChI=1S/C18H17ClN4O3/c1-11-3-4-20-9-16(11)22-17(24)7-13-5-14(19)8-15(6-13)25-10-18-21-12(2)23-26-18/h3-6,8-9H,7,10H2,1-2H3,(H,22,24)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide

OAR

OAR
Name:	N-(4-AMINO-5-HYDROXY-PENTYL)-GUANIDINE
Formula:	C6 H16 N4 O
SMILES:	[N@H]=C(NCCCC(N)CO)N
InChi:	InChI=1S/C6H16N4O/c7-5(4-11)2-1-3-10-6(8)9/h5,11H,1-4,7H2,(H4,8,9,10)/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	1-[(4S)-4-amino-5-hydroxypentyl]guanidine

OAS

OAS
Name:	O-ACETYLSERINE
Formula:	C5 H9 N O4
SMILES:	O=C(OCC(N)C(=O)O)C
InChi:	InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
Definition date:	2000-02-01
Last modified:	2023-11-03
Identifier:	O-acetyl-L-serine

OBF

OBF
Name:	(2S)-2-amino-4,4-difluorobutanoic acid
Formula:	C4 H7 F2 N O2
SMILES:	FC(F)CC(N)C(=O)O
InChi:	InChI=1S/C4H7F2NO2/c5-3(6)1-2(7)4(8)9/h2-3H,1,7H2,(H,8,9)/t2-/m0/s1
Definition date:	2008-03-14
Last modified:	2023-11-03
Identifier:	(2S)-2-amino-4,4-difluorobutanoic acid

OBO

OBO
Name:	2-(3-chlorophenyl)-N-(1H-imidazo[4,5-c]pyridin-7-yl)acetamide
Formula:	C14 H11 Cl N4 O
SMILES:	Clc1cccc(c1)CC(=O)Nc1cncc2nc[NH]c12
InChi:	InChI=1S/C14H11ClN4O/c15-10-3-1-2-9(4-10)5-13(20)19-12-7-16-6-11-14(12)18-8-17-11/h1-4,6-8H,5H2,(H,17,18)(H,19,20)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(1H-imidazo[4,5-c]pyridin-7-yl)acetamide

OBS

OBS
Name:	(Z)-N^6-[(4S,5R)-5-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)-1-HYDROXYDIHYDRO-2H-THIOPYRANIUM-3(4H)-YLIDENE]-L-LYSINE
Formula:	C16 H26 N2 O7 S
SMILES:	O=S1C/C(=N/CCCCC(C(=O)O)N)C(C(CCC(=O)O)C1)CC(=O)O
InChi:	InChI=1S/C16H26N2O7S/c17-12(16(23)24)3-1-2-6-18-13-9-26(25)8-10(4-5-14(19)20)11(13)7-15(21)22/h10-12H,1-9,17H2,(H,19,20)(H,21,22)(H,23,24)/b18-13-/t10-,11-,12+,26+/m1/s1
Synonyms:	2-AMINO-6-[5-(2-CARBOXY-ETHYL)-4-CARBOXYMETHYL-1-OXO-TETRAHYDRO-1LAMBDA4-THIOPYRAN-3-YLIDENEAMINO]-HEXANOIC ACID
Definition date:	2005-09-11
Last modified:	2023-11-03
Identifier:	(E)-N~6~-[(1S,4R,5S)-5-(2-carboxyethyl)-4-(carboxymethyl)-1-oxidodihydro-2H-thiopyran-3(4H)-ylidene]-L-lysine

OCE

OCE
Name:	octanedioic acid
Formula:	C8 H14 O4
SMILES:	O=C(O)CCCCCCC(=O)O
InChi:	InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
Definition date:	2010-05-26
Last modified:	2023-11-03
Identifier:	octanedioic acid

OCI

OCI
Name:	2-(3-chloro-5-sulfamamidophenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C14 H15 Cl N4 O3 S
SMILES:	O=C(Nc1cnccc1C)Cc1cc(NS(N)(=O)=O)cc(Cl)c1
InChi:	InChI=1S/C14H15ClN4O3S/c1-9-2-3-17-8-13(9)18-14(20)6-10-4-11(15)7-12(5-10)19-23(16,21)22/h2-5,7-8,19H,6H2,1H3,(H,18,20)(H2,16,21,22)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chloro-5-sulfamamidophenyl)-N-(4-methylpyridin-3-yl)acetamide

OCQ

OCQ
Name:	(3S)-3-[(2S)-2-AMINO-4-HYDROXY-3-OXOBUTYL]PYRROLIDIN-2-ONE
Formula:	C8 H14 N2 O3
SMILES:	O=C1NCCC1CC(N)C(=O)CO
InChi:	InChI=1S/C8H14N2O3/c9-6(7(12)4-11)3-5-1-2-10-8(5)13/h5-6,11H,1-4,9H2,(H,10,13)/t5-,6-/m0/s1
Definition date:	2007-06-07
Last modified:	2023-11-03
Identifier:	(3S)-3-[(2S)-2-amino-4-hydroxy-3-oxobutyl]pyrrolidin-2-one

OCS

OCS
Name:	CYSTEINESULFONIC ACID
Formula:	C3 H7 N O5 S
SMILES:	O=S(=O)(O)CC(C(=O)O)N
InChi:	InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-sulfo-L-alanine

A0A

A0A
Name:	(2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTANOIC ACID
Formula:	C5 H7 N O5
SMILES:	O=C(OC=O)CC(C(=O)O)N
InChi:	InChI=1S/C5H7NO5/c6-3(5(9)10)1-4(8)11-2-7/h2-3H,1,6H2,(H,9,10)/t3-/m0/s1
Definition date:	2007-12-11
Last modified:	2023-11-03
Identifier:	(2S)-2-amino-4-(formyloxy)-4-oxobutanoic acid (non-preferred name)

OCY

OCY
Name:	HYDROXYETHYLCYSTEINE
Formula:	C5 H11 N O3 S
SMILES:	O=C(O)C(N)CSCCO
InChi:	InChI=1S/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	S-(2-hydroxyethyl)-L-cysteine

A0G

A0G
Name:	(2Z)-2-amino-3-hydroxyprop-2-enoic acid
Formula:	C3 H5 N O3
SMILES:	C(=O)(/C(N)=C/O)O
InChi:	InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1,5H,4H2,(H,6,7)/b2-1-
Definition date:	2017-06-30
Last modified:	2023-11-03
Release date:	2019-09-18
Identifier:	(2Z)-2-amino-3-hydroxyprop-2-enoic acid

OD7

OD7
Name:	2-(6-methoxy-1H-benzotriazol-1-yl)-N-[4-(piperidin-4-yl)phenyl]-N-[(pyridin-2-yl)methyl]acetamide
Formula:	C26 H28 N6 O2
SMILES:	COc1ccc2nnn(CC(=O)N(Cc3ccccn3)c3ccc(cc3)C3CCNCC3)c2c1
InChi:	InChI=1S/C26H28N6O2/c1-34-23-9-10-24-25(16-23)32(30-29-24)18-26(33)31(17-21-4-2-3-13-28-21)22-7-5-19(6-8-22)20-11-14-27-15-12-20/h2-10,13,16,20,27H,11-12,14-15,17-18H2,1H3
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(6-methoxy-1H-benzotriazol-1-yl)-N-[4-(piperidin-4-yl)phenyl]-N-[(pyridin-2-yl)methyl]acetamide

ODA

ODA
Name:	9-AMINO-6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPINE-1-CARBOXYLIC ACID
Formula:	C10 H15 N3 O4
SMILES:	O=C(O)C2N1C(=O)C(N)CCC(=O)N1CCC2
InChi:	InChI=1S/C10H15N3O4/c11-6-3-4-8(14)12-5-1-2-7(10(16)17)13(12)9(6)15/h6-7H,1-5,11H2,(H,16,17)/t6-,7-/m0/s1
Definition date:	1999-10-14
Last modified:	2023-11-03
Identifier:	(1S,9S)-9-amino-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid

ODX

ODX
Name:	2-(3-chloro-5-{[(1S,2S)-2-hydroxycyclopentyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C19 H22 Cl N3 O2
SMILES:	O=C(Nc1cnccc1C)Cc1cc(NC2CCCC2O)cc(Cl)c1
InChi:	InChI=1S/C19H22ClN3O2/c1-12-5-6-21-11-17(12)23-19(25)9-13-7-14(20)10-15(8-13)22-16-3-2-4-18(16)24/h5-8,10-11,16,18,22,24H,2-4,9H2,1H3,(H,23,25)/t16-,18-/m0/s1
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chloro-5-{[(1S,2S)-2-hydroxycyclopentyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide

A1G

A1G
Name:	(2S)-amino[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid
Formula:	C12 H19 N O2
SMILES:	O=C(O)C(C13CC2CC(C1)CC(C2)C3)N
InChi:	InChI=1S/C12H19NO2/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-10H,1-6,13H2,(H,14,15)/t7-,8+,9-,10-,12-/m1/s1
Definition date:	2016-04-28
Last modified:	2023-11-03
Release date:	2017-05-10
Identifier:	(2S)-amino[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid

OE6

OE6
Name:	N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetamide
Formula:	C14 H11 Cl N4 O
SMILES:	Clc1cccc(c1)CC(=O)Nn1nnc2ccccc21
InChi:	InChI=1S/C14H11ClN4O/c15-11-5-3-4-10(8-11)9-14(20)17-19-13-7-2-1-6-12(13)16-18-19/h1-8H,9H2,(H,17,20)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetamide

OEM

OEM
Name:	N-methyl-D-aspartic acid
Formula:	C5 H9 N O4
SMILES:	O=C(O)C(NC)CC(=O)O
InChi:	InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
Definition date:	2010-08-17
Last modified:	2023-11-03
Identifier:	N-methyl-D-aspartic acid

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