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GHW

GHW
Name:	N-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid
Formula:	C19 H18 N4 O6 S2
SMILES:	O=C(O)C(NC(=O)c3ccc(Sc1c(sc2N=C(NC(=O)c12)N)C)cc3)CCC(=O)O
InChi:	InChI=1S/C19H18N4O6S2/c1-8-14(13-16(27)22-19(20)23-17(13)30-8)31-10-4-2-9(3-5-10)15(26)21-11(18(28)29)6-7-12(24)25/h2-5,11H,6-7H2,1H3,(H,21,26)(H,24,25)(H,28,29)(H3,20,22,23,27)/t11-/m0/s1
Definition date:	2009-03-05
Last modified:	2011-06-04
Identifier:	N-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid

GVD

GVD
Name:	[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE
Formula:	C22 H19 N7
SMILES:	N#CCC5C=CC(=N/c2nc1c(cccc1)c(n2)Nc3nnc(c3)C4CC4)C=C5
InChi:	InChI=1S/C22H19N7/c23-12-11-14-5-9-16(10-6-14)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)15-7-8-15/h1-6,9-10,13-15H,7-8,11H2,(H2,25,26,27,28,29)/b24-16-/t14-/m0/s1
Definition date:	2007-03-08
Last modified:	2011-06-04
Identifier:	[(1S,4E)-4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile

HAV

HAV
Name:	HYDROXYAMINOVALINE
Formula:	C5 H12 N2 O2
SMILES:	O=C(NO)C(N)C(C)C
InChi:	InChI=1S/C5H12N2O2/c1-3(2)4(6)5(8)7-9/h3-4,9H,6H2,1-2H3,(H,7,8)/t4-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N-hydroxy-D-valinamide

HDA

HDA
Name:	HADACIDIN
Formula:	C3 H5 N O4
SMILES:	O=C(O)CN(O)C=O
InChi:	InChI=1S/C3H5NO4/c5-2-4(8)1-3(6)7/h2,8H,1H2,(H,6,7)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N-formyl-N-hydroxyglycine

HDE

HDE
Name:	CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE 17R, 18S
Formula:	C34 H38 Fe N4 O5
SMILES:	O=C(O)CCc9c(c4n6c9C=C8N5C(=Cc1c(c(c3n1[Fe]56n2c(c(c(c2C3)C)CC)C4)CC)C)C(O)(C)C87OC(=O)CC7)C
InChi:	InChI=1S/C34H38N4O5.Fe/c1-7-20-17(3)23-13-27-21(8-2)18(4)25(37-27)15-29-33(6,42)34(12-11-32(41)43-34)30(38-29)16-28-22(9-10-31(39)40)19(5)24(36-28)14-26(20)35-23
Definition date:	2010-10-20
Last modified:	2011-06-04
Identifier:	{3-[(2R,5'S)-10',15'-diethyl-5'-hydroxy-5',9',14',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosa[1(20),2,6,8,10,13,15,18]octaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato(4-)}iron

2S8

2S8
Name:	(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid
Formula:	C21 H30 N2 O4
SMILES:	O=C(OC(C)(C)C)NCCCCCCC(c2c1ccccc1nc2)C(=O)O
InChi:	InChI=1S/C21H30N2O4/c1-21(2,3)27-20(26)22-13-9-5-4-6-11-16(19(24)25)17-14-23-18-12-8-7-10-15(17)18/h7-8,10,12,14,16,23H,4-6,9,11,13H2,1-3H3,(H,22,26)(H,24,25)/t16-/m0/s1
Definition date:	2008-02-08
Last modified:	2011-06-04
Identifier:	(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid

HQP

HQP
Name:	4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIENE-1-CARBONITRILE
Formula:	C21 H17 N7
SMILES:	N#CC5C=C/C(=N/c2nc1c(cccc1)c(n2)Nc3nnc(c3)C4CC4)C=C5
InChi:	InChI=1S/C21H17N7/c22-12-13-5-9-15(10-6-13)23-21-24-17-4-2-1-3-16(17)20(26-21)25-19-11-18(27-28-19)14-7-8-14/h1-6,9-11,13-14H,7-8H2,(H2,24,25,26,27,28)/b23-15-
Definition date:	2006-11-16
Last modified:	2011-06-04
Identifier:	(1R,4Z)-4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-diene-1-carbonitrile

IBO

IBO
Name:	2-METHYLPROPANAMIDE
Formula:	C4 H9 N O
SMILES:	O=C(N)C(C)C
InChi:	InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
Definition date:	2007-02-22
Last modified:	2011-06-04
Identifier:	2-methylpropanamide

IH3

IH3
Name:	2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4] TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID [4-(2-AMINO-3H-IMIDAZOL-4-YL)-CYCLOHEXYL]-AMIDE
Formula:	C31 H35 N7 O3
SMILES:	O=C1N(C(=O)N2N1C(C=C(C)C2)C(=O)NC4CCC(c3cnc(N)n3)CC4)CC(c5ccccc5)c6ccccc6
InChi:	InChI=1S/C31H35N7O3/c1-20-16-27(28(39)34-24-14-12-23(13-15-24)26-17-33-29(32)35-26)38-31(41)36(30(40)37(38)18-20)19-25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,16-17,23-25,27H,12-15,18-19H2,1H3,(H,34,39)(H3,32,33,35)/t23-,24-,27-/m0/s1
Definition date:	1999-10-13
Last modified:	2011-06-04
Identifier:	(5S)-N-[trans-4-(2-amino-1H-imidazol-5-yl)cyclohexyl]-2-(2,2-diphenylethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide

IHZ

IHZ
Name:	5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide
Formula:	C21 H17 F3 N4 O2
SMILES:	FC(F)(F)c1cccc(c1)NC(=O)c2cc(c(cc2)C)Nc3cc(cnc3)C(=O)N
InChi:	InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)
Definition date:	2008-06-27
Last modified:	2011-06-04
Identifier:	5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide

IOM

IOM
Name:	(DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACID
Formula:	C4 H11 N3 O2
SMILES:	O=C(O)CN(C)C(N)N
InChi:	InChI=1S/C4H11N3O2/c1-7(4(5)6)2-3(8)9/h4H,2,5-6H2,1H3,(H,8,9)
Definition date:	2002-10-17
Last modified:	2011-06-04
Identifier:	N-(diaminomethyl)-N-methylglycine

DBV

DBV
Name:	15,16-DIHYDROBILIVERDIN
Formula:	C33 H36 N4 O6
SMILES:	CC1=C(C=C)C(=O)N[CH]1CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4C=C)C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O
InChi:	InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,14-15,26,35H,1-2,9-13H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-,28-15-/t26-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3-[2-[(Z)-[3-(2-carboxyethyl)-5-[[(2R)-4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

AX8

AX8
Name:	1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine
Formula:	C14 H11 Cl2 N3
SMILES:	Clc1ccc(cc1Cl)Cn2c3ccccc3nc2N
InChi:	InChI=1S/C14H11Cl2N3/c15-10-6-5-9(7-11(10)16)8-19-13-4-2-1-3-12(13)18-14(19)17/h1-7H,8H2,(H2,17,18)
Definition date:	2007-12-20
Last modified:	2011-06-04
Identifier:	1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine

AZP

AZP
Name:	(5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE
Formula:	C32 H43 N5 O9
SMILES:	O=C(OCC)C(O)CC(=O)N(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)Cc2ccccc2)CCC(=O)N
InChi:	InChI=1S/C32H43N5O9/c1-4-45-31(43)26(38)19-28(40)37(16-15-27(33)39)36-30(42)25(18-22-11-7-5-8-12-22)34-29(41)24(17-21(2)3)35-32(44)46-20-23-13-9-6-10-14-23/h5-14,21,24-26,38H,4,15-20H2,1-3H3,(H2,33,39)(H,34,41)(H,35,44)(H,36,42)/t24-,25-,26-/m0/s1
Definition date:	2005-07-25
Last modified:	2011-06-04
Identifier:	ethyl (5S,8S,14S)-11-(3-amino-3-oxopropyl)-8-benzyl-14-hydroxy-5-(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate (non-preferred name)

J28

J28
Name:	5-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid
Formula:	C15 H17 N3 O4 S
SMILES:	O=S(=O)(O)c2cc(/N=N/c1cc(c(O)cc1N)C)c(cc2C)C
InChi:	InChI=1S/C15H17N3O4S/c1-8-4-10(3)15(23(20,21)22)7-12(8)17-18-13-5-9(2)14(19)6-11(13)16/h4-7,19H,16H2,1-3H3,(H,20,21,22)/b18-17+
Definition date:	2011-01-05
Last modified:	2011-06-04
Identifier:	5-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid

NA2

NA2
Name:	SODIUM ION, 2 WATER COORDINATED
Formula:	H4 Na O2
SMILES:	[OH2-][Na+][OH2-]
InChi:	InChI=1/Na.2H2O/h
Definition date:	1999-09-15
Last modified:	2008-10-14

NA5

NA5
Name:	SODIUM ION, 5 WATERS COORDINATED
Formula:	H10 Na O5
SMILES:	[OH2-][Na+]([OH2-])([OH2-])([OH2-])[OH2-]
InChi:	InChI=1/Na.5H2O/h
Definition date:	1999-07-08
Last modified:	2008-10-14

NA6

NA6
Name:	SODIUM ION, 6 WATERS COORDINATED
Formula:	H12 Na O6
SMILES:	[OH2-][Na+]([OH2-])([OH2-])([OH2-])([OH2-])[OH2-]
InChi:	InChI=1/Na.6H2O/h
Definition date:	1999-07-08
Last modified:	2008-10-14

NAO

NAO
Name:	SODIUM ION, 1 WATER COORDINATED
Formula:	H2 Na O
SMILES:	[OH2-][Na+]
InChi:	InChI=1/Na.H2O/h
Definition date:	1999-07-22
Last modified:	2008-10-14

NAW

NAW
Name:	SODIUM ION, 3 WATERS COORDINATED
Formula:	H6 Na O3
SMILES:	[OH2-][Na+]([OH2-])[OH2-]
InChi:	InChI=1/Na.3H2O/h
Definition date:	1999-07-08
Last modified:	2008-10-14

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