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G01

G01
Name:	N-[(R)-hydroxy(methyl)phosphoryl]-D-glutamic acid
Formula:	C6 H12 N O6 P
SMILES:	O=C(O)CCC(NP(=O)(O)C)C(=O)O
InChi:	InChI=1S/C6H12NO6P/c1-14(12,13)7-4(6(10)11)2-3-5(8)9/h4H,2-3H2,1H3,(H,8,9)(H,10,11)(H2,7,12,13)/t4-/m1/s1
Synonyms:	N-PHOSPHONOMETHYL-D-GLUTAMIC ACID
Definition date:	2009-03-06
Last modified:	2021-03-01
Identifier:	N-[(R)-hydroxy(methyl)phosphoryl]-D-glutamic acid

0NQ

0NQ
Name:	N-{(1S)-3-[(5S)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide
Formula:	C24 H37 N4 O6 P S
SMILES:	O=S(=O)(Nc1ccc2c(c1)P(=O)(N=C(N2)C3=C(O)C(N(C3=O)CCC(C)(C)C)C(C)(C)C)OCC)C
InChi:	InChI=1S/C24H37N4O6PS/c1-9-34-35(31)17-14-15(27-36(8,32)33)10-11-16(17)25-21(26-35)18-19(29)20(24(5,6)7)28(22(18)30)13-12-23(2,3)4/h10-11,14,20,27,29H,9,12-13H2,1-8H3,(H,25,26,31)/t20-,35+/m1/s1
Synonyms:	IDX375
Definition date:	2012-03-23
Last modified:	2021-03-01
Release date:	2013-03-27
Identifier:	N-{(1S)-3-[(5S)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide

0OD

0OD
Name:	trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+)
Formula:	C21 H32 Cl3 N3 O2 Rh S
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)NCCc37c4(C)c5(C)c6(C)C3(C)[Rh+]4567(Cl)(Cl)Cl
InChi:	InChI=1S/C21H32N3O2S.3ClH.Rh/c1-12-13(2)15(4)16(14(12)3)9-10-22-19(25)8-6-5-7-18-20-17(11-27-18)23-21(26)24-20
Synonyms:	[Cp*(Biot-methylene)RhCl(H2O)2]+
Definition date:	2012-08-21
Last modified:	2021-03-01
Release date:	2013-02-08
Identifier:	trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+)

0OM

0OM
Name:	benzyl pyridine-3-carboxylate
Formula:	C13 H11 N O2
SMILES:	O=C(OCc1ccccc1)c2cccnc2
InChi:	InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2
Synonyms:	Benzyl nicotinate
Definition date:	2012-04-03
Last modified:	2021-03-01
Release date:	2012-11-30
Identifier:	benzyl pyridine-3-carboxylate

0ON

0ON
Name:	N-phenylpyridine-3-carboxamide
Formula:	C12 H10 N2 O
SMILES:	O=C(Nc1ccccc1)c2cccnc2
InChi:	InChI=1S/C12H10N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h1-9H,(H,14,15)
Synonyms:	N-phenylnicotinamide
Definition date:	2012-04-03
Last modified:	2021-03-01
Release date:	2012-11-30
Identifier:	N-phenylpyridine-3-carboxamide

0PC

0PC
Name:	Nalpha-[(benzyloxy)carbonyl]-N-[(1S)-3-chloro-1-methyl-2-oxopropyl]-L-phenylalaninamide
Formula:	C21 H23 Cl N2 O4
SMILES:	ClCC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)Cc2ccccc2)C
InChi:	InChI=1S/C21H23ClN2O4/c1-15(19(25)13-22)23-20(26)18(12-16-8-4-2-5-9-16)24-21(27)28-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,26)(H,24,27)/t15-,18-/m0/s1
Synonyms:	ZPACK
Definition date:	2008-09-14
Last modified:	2021-03-01
Identifier:	Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-4-chloro-3-oxobutan-2-yl]-L-phenylalaninamide

0PJ

0PJ
Name:	N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-leucine
Formula:	C21 H34 N3 O7 P
SMILES:	O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)CC(C)C
InChi:	InChI=1S/C21H34N3O7P/c1-14(2)10-17(19(25)23-18(20(26)27)11-15(3)4)24-32(29,30)13-22-21(28)31-12-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30)/t17-,18-/m0/s1
Synonyms:	ZGPLL
Definition date:	2008-09-14
Last modified:	2021-03-01
Identifier:	N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-leucine

0PK

0PK
Name:	N-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-L-leucyl-L-alanine
Formula:	C25 H34 N3 O7 P
SMILES:	O=C(O)C(NC(=O)C(NP(=O)(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2)CC(C)C)C
InChi:	InChI=1S/C25H34N3O7P/c1-17(2)14-21(23(29)26-18(3)24(30)31)28-36(33,34)22(15-19-10-6-4-7-11-19)27-25(32)35-16-20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3,(H,26,29)(H,27,32)(H,30,31)(H2,28,33,34)/t18-,21-,22+/m0/s1
Synonyms:	ZFPLA
Definition date:	2008-09-14
Last modified:	2021-03-01
Identifier:	N-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-L-leucyl-L-alanine

0PR

0PR
Name:	N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-tyrosine
Formula:	C17 H21 N2 O8 P
SMILES:	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)Cc2ccc(O)cc2
InChi:	InChI=1S/C17H21N2O8P/c1-10-16(21)14(12(7-18-10)9-27-28(24,25)26)8-19-15(17(22)23)6-11-2-4-13(20)5-3-11/h2-5,7,15,19-21H,6,8-9H2,1H3,(H,22,23)(H2,24,25,26)/t15-/m0/s1
Synonyms:	PHOSPHO-5'-PYRIDOXYL TYROSINE
Definition date:	2008-11-10
Last modified:	2021-03-01
Release date:	2018-09-19
Identifier:	N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-tyrosine

0Q4

0Q4
Name:	N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
Formula:	C40 H70 N11 O8
SMILES:	O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C(NCC(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)C(C)C)CC(C)C)Cc1ccccc1)CCC(=O)O)C)CCCC
InChi:	InChI=1S/C40H69N11O8/c1-7-8-16-29(34(42)54)49-35(55)25(6)47-37(57)30(17-18-32(52)53)50-38(58)31(21-26-13-10-9-11-14-26)46-22-27(20-23(2)3)48-39(59)33(24(4)5)51-36(56)28(41)15-12-19-45-40(43)44/h9-11,13-14,23-25,27-31,33,46H,7-8,12,15-22,41H2,1-6H3,(H2,42,54)(H,47,57)(H,48,59)(H,49,55)(H,50,58)(H,51,56)(H,52,53)(H4,43,44,45)/p+1/t25-,27-,28-,29-,30-,31-,33-/m0/s1
Synonyms:	Inhibitor analogues of CA-p2
Definition date:	2008-09-14
Last modified:	2021-03-01
Identifier:	N-[(2S)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide

0QB

0QB
Name:	(2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-{(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3R)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide
Formula:	C36 H54 N6 O5 S
SMILES:	O=C1N(C)C(C)(C)CC1C(O)C(NC(=O)C(Cc2nc(sc2)N)CC(=O)N(CC(=O)N(C)C)C(c3ccccc3)C)CC4CCCCC4
InChi:	InChI=1S/C36H54N6O5S/c1-23(25-15-11-8-12-16-25)42(21-31(44)40(4)5)30(43)19-26(18-27-22-48-35(37)38-27)33(46)39-29(17-24-13-9-7-10-14-24)32(45)28-20-36(2,3)41(6)34(28)47/h8,11-12,15-16,22-24,26,28-29,32,45H,7,9-10,13-14,17-21H2,1-6H3,(H2,37,38)(H,39,46)/t23-,26+,28-,29-,32-/m0/s1
Synonyms:	P2-P3 butanediamide renin inhibitor (3)
Definition date:	2008-11-12
Last modified:	2021-03-01
Identifier:	(2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-{(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3R)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide

0QL

0QL
Name:	3-[(2-aminoethyl)disulfanyl]-L-alanine
Formula:	C5 H12 N2 O2 S2
SMILES:	O=C(O)C(N)CSSCCN
InChi:	InChI=1S/C5H12N2O2S2/c6-1-2-10-11-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
Synonyms:	CYS-MTSEA
Definition date:	2012-04-16
Last modified:	2021-03-01
Identifier:	3-[(2-aminoethyl)disulfanyl]-L-alanine

I41

I41
Name:	2-[[2-[[(2S)-3-(3H-IMIDAZOL-4-YL)-1-METHOXY-1-OXO-PROPAN-2-YL]AMINO]-2-OXO-ETHYL]-(PHENYLMETHYL)AMINO]ETHANOIC ACID
Formula:	C18 H22 N4 O5
SMILES:	COC(=O)[CH](Cc1[nH]cnc1)NC(=O)CN(CC(O)=O)Cc2ccccc2
InChi:	InChI=1S/C18H22N4O5/c1-27-18(26)15(7-14-8-19-12-20-14)21-16(23)10-22(11-17(24)25)9-13-5-3-2-4-6-13/h2-6,8,12,15H,7,9-11H2,1H3,(H,19,20)(H,21,23)(H,24,25)/t15-/m0/s1
Synonyms:	COMPOUND 41367
Definition date:	2011-02-28
Last modified:	2021-03-01
Identifier:	2-[[2-[[(2S)-3-(3H-imidazol-4-yl)-1-methoxy-1-oxo-propan-2-yl]amino]-2-oxo-ethyl]-(phenylmethyl)amino]ethanoic acid

0RQ

0RQ
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-oxidanylidenepentylamino)propyl]amino]butyl] hydrogen phosphate
Formula:	C24 H40 N7 O17 P3
SMILES:	O=C(C)CCCNC(=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/C24H40N7O17P3/c1-13(32)5-4-7-26-15(33)6-8-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-14-18(47-49(37,38)39)17(34)23(46-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-12,14,17-19,23,34-35H,4-10H2,1-3H3,(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t14-,17-,18-,19+,23-/m1/s1
Synonyms:	dethiaacetyl-coenzyme A
Definition date:	2012-05-06
Last modified:	2021-03-01
Release date:	2012-10-05
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-oxopentyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name)

I52

I52
Name:	N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
Formula:	C29 H42 N4 O6 S
SMILES:	O=C(c1ccc(cc1)CCCCC)Nc2ccc(cc2)S(=O)(=O)N(CCN3CCOCC3)C(C(=O)NO)C(C)C
InChi:	InChI=1S/C29H42N4O6S/c1-4-5-6-7-23-8-10-24(11-9-23)28(34)30-25-12-14-26(15-13-25)40(37,38)33(27(22(2)3)29(35)31-36)17-16-32-18-20-39-21-19-32/h8-15,22,27,36H,4-7,16-21H2,1-3H3,(H,30,34)(H,31,35)/t27-/m1/s1
Synonyms:	SC-74020
Definition date:	2000-12-19
Last modified:	2021-03-01
Identifier:	N-(4-{[(1R)-1-(hydroxycarbamoyl)-2-methylpropyl](2-morpholin-4-ylethyl)sulfamoyl}phenyl)-4-pentylbenzamide

I5I

I5I
Name:	2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
Formula:	C12 H9 N3 O S
SMILES:	S=C=Nc3cc1c(oc(c1)C2=NCCN2)cc3
InChi:	InChI=1S/C12H9N3OS/c17-7-15-9-1-2-10-8(5-9)6-11(16-10)12-13-3-4-14-12/h1-2,5-6H,3-4H2,(H,13,14)
Synonyms:	2-(imidazolin-2-yl)-5-isothiocyanatobenzofuran
Definition date:	2010-12-21
Last modified:	2021-03-01
Identifier:	2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole

0T3

0T3
Name:	4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile
Formula:	C14 H13 N3
SMILES:	N#Cc1ccc(cc1)C3n2cncc2CCC3
InChi:	InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m1/s1
Synonyms:	fadrozole
Definition date:	2012-05-30
Last modified:	2021-03-01
Release date:	2013-01-25
Identifier:	4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile

0TK

0TK
Name:	(2R)-2,5-diaminopentanoyl dihydrogen phosphate
Formula:	C5 H13 N2 O5 P
SMILES:	O=P(OC(=O)C(N)CCCN)(O)O
InChi:	InChI=1S/C5H13N2O5P/c6-3-1-2-4(7)5(8)12-13(9,10)11/h4H,1-3,6-7H2,(H2,9,10,11)/t4-/m1/s1
Synonyms:	phosphorylated D-ornithine
Definition date:	2012-06-06
Last modified:	2021-03-01
Release date:	2012-09-14
Identifier:	(2R)-2,5-diaminopentanoyl dihydrogen phosphate

0U9

0U9
Name:	S-bicalutamide
Formula:	C18 H14 F4 N2 O4 S
SMILES:	Fc1ccc(cc1)S(=O)(=O)CC(O)(C(=O)Nc2cc(c(C#N)cc2)C(F)(F)F)C
InChi:	InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m1/s1
Synonyms:	(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide
Definition date:	2012-06-15
Last modified:	2021-03-01
Release date:	2013-01-04
Identifier:	(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide

2TU

2TU
Name:	1-(beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Formula:	C9 H12 N2 O5 S
SMILES:	O=C1NC(=S)N(C=C1)C2OC(C(O)C2O)CO
InChi:	InChI=1S/C9H12N2O5S/c12-3-4-6(14)7(15)8(16-4)11-2-1-5(13)10-9(11)17/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,17)/t4-,6-,7-,8-/m1/s1
Synonyms:	2-thiouridine
Definition date:	2011-06-24
Last modified:	2021-03-01
Identifier:	1-(beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

I83

I83
Name:	bis(chloranyl)-(dimethylamino)-(methylamino)platinum
Formula:	C3 H10 Cl2 N2 Pt
SMILES:	Cl[Pt](Cl)(NC)N(C)C
InChi:	InChI=1S/C2H6N.CH4N.2ClH.Pt/c1-3-2
Synonyms:	trans-dimethylamine methylamine dichlorido platinum(II)
Definition date:	2014-06-09
Last modified:	2021-03-01
Release date:	2014-07-30
Identifier:	platinum(4+) chloride dimethylazanide methylazanide (1:2:1:1)

I84

I84
Name:	[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE
Formula:	C19 H22 N2 O5 S
SMILES:	O=C(Nc1cc(c(c(c1)C)S(=O)(=O)NCC(=O)O)C)Cc2ccccc2C
InChi:	InChI=1S/C19H22N2O5S/c1-12-6-4-5-7-15(12)10-17(22)21-16-8-13(2)19(14(3)9-16)27(25,26)20-11-18(23)24/h4-9,20H,10-11H2,1-3H3,(H,21,22)(H,23,24)
Synonyms:	INHIBITOR IDD 384
Definition date:	2000-03-21
Last modified:	2021-03-01
Identifier:	N-[(2,6-dimethyl-4-{[(2-methylphenyl)acetyl]amino}phenyl)sulfonyl]glycine

2W2

2W2
Name:	N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid
Formula:	C11 H20 N4 O6
SMILES:	O=C(O)C(NC(C(=O)O)CCC(=O)O)CCCNC(=[N@H])N
InChi:	InChI=1S/C11H20N4O6/c12-11(13)14-5-1-2-6(9(18)19)15-7(10(20)21)3-4-8(16)17/h6-7,15H,1-5H2,(H,16,17)(H,18,19)(H,20,21)(H4,12,13,14)/t6-,7+/m0/s1
Synonyms:	Nopaline
Definition date:	2014-02-28
Last modified:	2021-03-01
Release date:	2014-10-22
Identifier:	N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid

IAA

IAA
Name:	({[(3E)-2'-OXO-2',7'-DIHYDRO-2,3'-BIINDOL-3(7H)-YLIDENE]AMINO}OXY)ACETIC ACID
Formula:	C18 H13 N3 O4
SMILES:	O=C(O)CON=C3/C4=CC=CCC4=N/C3=C1/C2=CC=CCC2=NC1=O
InChi:	InChI=1S/C18H13N3O4/c22-14(23)9-25-21-16-11-6-2-4-8-13(11)19-17(16)15-10-5-1-3-7-12(10)20-18(15)24/h1-6H,7-9H2,(H,22,23)/b17-15-,21-16+
Synonyms:	2-{O-[2'-(2-OXO-(2H3H)INDOLE-3-YLIDENE)-(2'H3'H)INDOLE-3'-YLIDENE]-AMINOOXY}-ACETATE
Definition date:	2005-03-23
Last modified:	2021-03-01
Identifier:	({[(2Z,3E)-2'-oxo-2',7'-dihydro-2,3'-biindol-3(7H)-ylidene]amino}oxy)acetic acid

IAC

IAC
Name:	1H-INDOL-3-YLACETIC ACID
Formula:	C10 H9 N O2
SMILES:	O=C(O)Cc2c1ccccc1nc2
InChi:	InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
Synonyms:	INDOLE ACETIC ACID
Definition date:	2007-02-23
Last modified:	2021-03-01
Identifier:	1H-indol-3-ylacetic acid

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