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0EZ

0EZ
Name:	tert-butyl [(1S,2S)-1-benzyl-2-hydroxy-3-{[(8S,11R)-8-[(1R)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]carbamate
Formula:	C33 H48 N4 O6
SMILES:	O=C(OC(C)(C)C)NC(Cc1ccccc1)C(O)CNC3C(=O)NC(C(=O)NCCCOc2ccc(cc2)C3)C(C)CC
InChi:	InChI=1S/C33H48N4O6/c1-6-22(2)29-31(40)34-17-10-18-42-25-15-13-24(14-16-25)20-27(30(39)37-29)35-21-28(38)26(19-23-11-8-7-9-12-23)36-32(41)43-33(3,4)5/h7-9,11-16,22,26-29,35,38H,6,10,17-21H2,1-5H3,(H,34,40)(H,36,41)(H,37,39)/t22-,26-,27-,28+,29-/m0/s1
Definition date:	2008-09-14
Last modified:	2012-07-19
Identifier:	tert-butyl [(2S,3R)-4-{[(8S,11S)-8-[(2S)-butan-2-yl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate

0LN

0LN
Name:	13-cyclohexyl-3-methoxy-17,22-dimethyl-7H-10,6-(methanoiminothioiminobutanoiminomethano)indolo[2,1-a][2]benzazepine-14,23-dione 16,16-dioxide
Formula:	C32 H38 N4 O5 S
SMILES:	O=C2C6=Cc1cc(OC)ccc1c4n(c3cc(C(=O)NS(=O)(=O)N(C)CCCCN2C)ccc3c4C5CCCCC5)C6
InChi:	InChI=1S/C32H38N4O5S/c1-34-15-7-8-16-35(2)42(39,40)33-31(37)22-11-13-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)12-14-26(23)30(36)29(27)21-9-5-4-6-10-21/h11-14,17-19,21H,4-10,15-16,20H2,1-3H3,(H,33,37)
Definition date:	2012-02-20
Last modified:	2012-04-13
Identifier:	13-cyclohexyl-3-methoxy-17,22-dimethyl-7H-10,6-(methanoiminothioiminobutanoiminomethano)indolo[2,1-a][2]benzazepine-14,23-dione 16,16-dioxide

PKC

PKC
Name:	(2R,3S)-1,3-diamino-4-phenylbutan-2-ol
Formula:	C10 H16 N2 O
SMILES:	OC(C(N)Cc1ccccc1)CN
InChi:	InChI=1S/C10H16N2O/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,11-12H2/t9-,10+/m0/s1
Definition date:	2008-11-07
Last modified:	2012-01-13
Identifier:	(2R,3S)-1,3-diamino-4-phenylbutan-2-ol

SZ0

SZ0
Name:	(2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxylic acid
Formula:	C21 H27 N3 O5 S
SMILES:	O=C(O)C2N(CC(O)C(N)Cc1ccccc1)CCC(C2)S(=O)(=O)c3ccncc3
InChi:	InChI=1S/C21H27N3O5S/c22-18(12-15-4-2-1-3-5-15)20(25)14-24-11-8-17(13-19(24)21(26)27)30(28,29)16-6-9-23-10-7-16/h1-7,9-10,17-20,25H,8,11-14,22H2,(H,26,27)/t17-,18+,19+,20-/m1/s1
Definition date:	2010-11-03
Last modified:	2012-01-13
Identifier:	(2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxylic acid

T00

T00
Name:	N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-phenylalanine
Formula:	C19 H24 N2 O3
SMILES:	O=C(O)C(NCC(O)C(N)Cc1ccccc1)Cc2ccccc2
InChi:	InChI=1S/C19H24N2O3/c20-16(11-14-7-3-1-4-8-14)18(22)13-21-17(19(23)24)12-15-9-5-2-6-10-15/h1-10,16-18,21-22H,11-13,20H2,(H,23,24)/t16-,17-,18+/m0/s1
Definition date:	2010-11-17
Last modified:	2012-01-13
Identifier:	N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-phenylalanine

R00

R00
Name:	N-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-phenylalanine
Formula:	C19 H24 N2 O3
SMILES:	O=C(O)C(NCC(O)C(N)Cc1ccccc1)Cc2ccccc2
InChi:	InChI=1S/C19H24N2O3/c20-16(11-14-7-3-1-4-8-14)18(22)13-21-17(19(23)24)12-15-9-5-2-6-10-15/h1-10,16-18,21-22H,11-13,20H2,(H,23,24)/t16-,17-,18-/m0/s1
Definition date:	2010-11-17
Last modified:	2012-01-13
Identifier:	N-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-phenylalanine

R35

R35
Name:	(2R)-2-tert-butylbutanedioic acid
Formula:	C8 H14 O4
SMILES:	O=C(O)C(CC(=O)O)C(C)(C)C
InChi:	InChI=1S/C8H14O4/c1-8(2,3)5(7(11)12)4-6(9)10/h5H,4H2,1-3H3,(H,9,10)(H,11,12)/t5-/m0/s1
Definition date:	2010-11-03
Last modified:	2012-01-13
Identifier:	(2R)-2-tert-butylbutanedioic acid

Q00

Q00
Name:	N-[(3S)-3-amino-4-phenylbutyl]-L-phenylalanine
Formula:	C19 H24 N2 O2
SMILES:	O=C(O)C(NCCC(N)Cc1ccccc1)Cc2ccccc2
InChi:	InChI=1S/C19H24N2O2/c20-17(13-15-7-3-1-4-8-15)11-12-21-18(19(22)23)14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14,20H2,(H,22,23)/t17-,18+/m1/s1
Definition date:	2010-11-17
Last modified:	2012-01-13
Identifier:	N-[(3S)-3-amino-4-phenylbutyl]-L-phenylalanine

RH0

RH0
Name:	3-amino-5-S-benzyl-2,3-dideoxy-5-thio-D-erythro-pentonic acid
Formula:	C12 H17 N O3 S
SMILES:	O=C(O)CC(N)C(O)CSCc1ccccc1
InChi:	InChI=1S/C12H17NO3S/c13-10(6-12(15)16)11(14)8-17-7-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2,(H,15,16)/t10-,11+/m0/s1
Definition date:	2010-10-09
Last modified:	2012-01-13
Identifier:	3-amino-5-S-benzyl-2,3-dideoxy-5-thio-D-erythro-pentonic acid

D0M

D0M
Name:	pentan-3-amine
Formula:	C5 H13 N
SMILES:	NC(CC)CC
InChi:	InChI=1S/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3
Definition date:	2010-11-03
Last modified:	2012-01-13
Identifier:	pentan-3-amine

0ML

0ML
Name:	(2S,3S)-3-amino-2-hydroxy-N-(4-iodobenzyl)butanamide
Formula:	C11 H15 I N2 O2
SMILES:	Ic1ccc(cc1)CNC(=O)C(O)C(N)C
InChi:	InChI=1S/C11H15IN2O2/c1-7(13)10(15)11(16)14-6-8-2-4-9(12)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)/t7-,10-/m0/s1
Definition date:	2010-11-02
Last modified:	2012-01-13
Identifier:	(2S,3S)-3-amino-2-hydroxy-N-(4-iodobenzyl)butanamide

GKL

GKL
Name:	N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valine
Formula:	C12 H26 N2 O3
SMILES:	O=C(O)C(NCC(O)C(N)CC(C)C)C(C)C
InChi:	InChI=1S/C12H26N2O3/c1-7(2)5-9(13)10(15)6-14-11(8(3)4)12(16)17/h7-11,14-15H,5-6,13H2,1-4H3,(H,16,17)/t9-,10-,11-/m0/s1
Definition date:	2010-09-28
Last modified:	2012-01-13
Identifier:	N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valine

IRA

IRA
Name:	(5-bromo-2-methoxyphenyl)acetic acid
Formula:	C9 H9 Br O3
SMILES:	Brc1cc(c(OC)cc1)CC(=O)O
InChi:	InChI=1S/C9H9BrO3/c1-13-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
Definition date:	2010-10-09
Last modified:	2012-01-13
Identifier:	(5-bromo-2-methoxyphenyl)acetic acid

2A0

2A0
Name:	N-[(2S)-2-aminohexyl]-L-norleucine
Formula:	C12 H26 N2 O2
SMILES:	O=C(O)C(NCC(N)CCCC)CCCC
InChi:	InChI=1S/C12H26N2O2/c1-3-5-7-10(13)9-14-11(12(15)16)8-6-4-2/h10-11,14H,3-9,13H2,1-2H3,(H,15,16)/t10-,11-/m0/s1
Definition date:	2010-10-09
Last modified:	2012-01-13
Identifier:	N-[(2S)-2-aminohexyl]-L-norleucine

9AL

9AL
Name:	(2S,3S)-3-amino-2-hydroxy-N-[(1R)-1-phenylpropyl]butanamide
Formula:	C13 H20 N2 O2
SMILES:	O=C(NC(c1ccccc1)CC)C(O)C(N)C
InChi:	InChI=1S/C13H20N2O2/c1-3-11(10-7-5-4-6-8-10)15-13(17)12(16)9(2)14/h4-9,11-12,16H,3,14H2,1-2H3,(H,15,17)/t9-,11+,12-/m0/s1
Definition date:	2010-09-24
Last modified:	2012-01-13
Identifier:	(2S,3S)-3-amino-2-hydroxy-N-[(1R)-1-phenylpropyl]butanamide

X97

X97
Name:	3-{4-oxo-4-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]butyl}-5,5-diphenylimidazolidine-2,4-dione
Formula:	C28 H32 N4 O4
SMILES:	O=C(N1CCCC1)C5N(C(=O)CCCN4C(=O)C(c2ccccc2)(c3ccccc3)NC4=O)CCC5
InChi:	InChI=1S/C28H32N4O4/c33-24(31-19-9-15-23(31)25(34)30-17-7-8-18-30)16-10-20-32-26(35)28(29-27(32)36,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-6,11-14,23H,7-10,15-20H2,(H,29,36)/t23-/m0/s1
Definition date:	2008-10-16
Last modified:	2012-01-11
Identifier:	3-{4-oxo-4-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]butyl}-5,5-diphenylimidazolidine-2,4-dione

X98

X98
Name:	1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one
Formula:	C26 H28 N4 O3
SMILES:	O=C(N1CCCC1)C5N(C(=O)CCN3c4ccccc4N=C(c2ccccc2)C3=O)CCC5
InChi:	InChI=1S/C26H28N4O3/c31-23(29-17-8-13-22(29)25(32)28-15-6-7-16-28)14-18-30-21-12-5-4-11-20(21)27-24(26(30)33)19-9-2-1-3-10-19/h1-5,9-12,22H,6-8,13-18H2/t22-/m0/s1
Definition date:	2008-10-15
Last modified:	2012-01-11
Identifier:	1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one

0P0

0P0
Name:	N-[(4R)-4-ammonio-4-carboxybutanoyl]-L-cysteinylglycine
Formula:	C10 H18 N3 O6 S
SMILES:	O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)[NH3+])CS
InChi:	InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p+1/t5-,6-/m0/s1
Synonyms:	glutathione
Definition date:	2008-11-13
Last modified:	2012-01-11
Identifier:	N-[(4S)-4-ammonio-4-carboxybutanoyl]-L-cysteinylglycine

TOS

TOS
Name:	P-SULFINOTOLUENE
Formula:	C7 H8 O2 S
SMILES:	O=S(O)c1ccc(cc1)C
InChi:	InChI=1S/C7H8O2S/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3,(H,8,9)
Definition date:	1999-07-08
Last modified:	2012-01-05
Identifier:	4-methylbenzenesulfinic acid

PC5

PC5
Name:	1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE
Formula:	C18 H36 N O6 P S2
SMILES:	O=C(OC(COP([S-])(=S)OCC[N+](C)(C)C)COC(=O)CCCC)CCCC
InChi:	InChI=1S/C18H36NO6PS2/c1-6-8-10-17(20)22-14-16(25-18(21)11-9-7-2)15-24-26(27,28)23-13-12-19(3,4)5/h16H,6-15H2,1-5H3/t16-/m1/s1
Definition date:	2003-05-02
Last modified:	2012-01-05
Identifier:	O-[(2R)-2,3-bis(pentanoyloxy)propyl] O-[2-(trimethylammonio)ethyl] dithiophosphate

102

102
Name:	GAMMA-DEOXY-GAMMA-SULFO-GUANOSINE-5'-TRIPHOSPHATE
Formula:	C10 H16 N5 O13 P3 S
SMILES:	NC1=Nc2n(cnc2C(=O)N1)C3OC(CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)C(O)C3O
InChi:	InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)
Definition date:	1999-08-17
Last modified:	2012-01-05
Identifier:	[[(2S,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] dihydroxyphosphinothioyl hydrogen phosphate

038

038
Name:	3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid
Formula:	C34 H46 N10 O8
SMILES:	CC(C)C[CH](NC(=O)[CH](NC(=O)[CH](N)CNC(=O)c1[nH]nnn1)C(C)C)C(=O)NC[C](O)(CCc2ccccc2)C(=O)Nc3cccc(c3)C(O)=O
InChi:	InChI=1S/C34H46N10O8/c1-19(2)15-25(39-30(47)26(20(3)4)40-28(45)24(35)17-36-31(48)27-41-43-44-42-27)29(46)37-18-34(52,14-13-21-9-6-5-7-10-21)33(51)38-23-12-8-11-22(16-23)32(49)50/h5-12,16,19-20,24-26,52H,13-15,17-18,35H2,1-4H3,(H,36,48)(H,37,46)(H,38,51)(H,39,47)(H,40,45)(H,49,50)(H,41,42,43,44)/t24-,25-,26-,34+/m0/s1
Definition date:	2010-05-14
Last modified:	2012-01-05
Identifier:	3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid

HII

HII
Name:	2-METHYL-3-(2-AMINOTHIAZOLO)PROPANAL
Formula:	C7 H10 N2 O S
SMILES:	O=CC(C)Cc1nc(sc1)N
InChi:	InChI=1S/C7H10N2OS/c1-5(3-10)2-6-4-11-7(8)9-6/h3-5H,2H2,1H3,(H2,8,9)/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-12-12
Identifier:	(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal

RMO

RMO
Name:	[arsenothionito(2-)-kappa~2~O,S](oxo)molybdenum
Formula:	As H Mo O3 S
SMILES:	O=[Mo]1O[As](O)S1
InChi:	InChI=1S/AsHO2S.Mo.O/c2-1(3)4
Definition date:	2011-04-22
Last modified:	2011-07-22
Identifier:	[arsenothionito(2-)-kappa~2~O,S](oxo)molybdenum

VWW

VWW
Name:	L-gamma-glutamyl-S-benzyl-N-[(S)-carboxy(phenyl)methyl]-L-cysteinamide
Formula:	C23 H27 N3 O6 S
SMILES:	O=C(O)C(N)CCC(=O)NC(C(=O)NC(c1ccccc1)C(=O)O)CSCc2ccccc2
InChi:	InChI=1S/C23H27N3O6S/c24-17(22(29)30)11-12-19(27)25-18(14-33-13-15-7-3-1-4-8-15)21(28)26-20(23(31)32)16-9-5-2-6-10-16/h1-10,17-18,20H,11-14,24H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)/t17-,18-,20+/m0/s1
Definition date:	2009-02-05
Last modified:	2011-07-13
Identifier:	L-gamma-glutamyl-S-benzyl-N-[(R)-carboxy(phenyl)methyl]-L-cysteinamide

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