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3GC

3GC
Name:	GAMMA-GLUTAMYLCYSTEINE
Formula:	C8 H14 N2 O5 S
SMILES:	O=C(O)C(NC(=O)CCC(C(=O)O)N)CS
InChi:	InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1
Definition date:	2002-07-01
Last modified:	2011-06-04
Identifier:	L-gamma-glutamyl-L-cysteine

LHG

LHG
Name:	1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE
Formula:	C38 H75 O10 P
SMILES:	O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C38H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39-40H,3-34H2,1-2H3,(H,43,44)/t35-,36+/m0/s1
Definition date:	2001-06-25
Last modified:	2011-06-04
Identifier:	(2R)-3-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl dihexadecanoate

LHY

LHY
Name:	L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE
Formula:	C10 H12 N2 O4
SMILES:	O=C(O)C(NC(=O)NO)Cc1ccccc1
InChi:	InChI=1S/C10H12N2O4/c13-9(14)8(11-10(15)12-16)6-7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H,13,14)(H2,11,12,15)/t8-/m0/s1
Definition date:	2000-11-22
Last modified:	2011-06-04
Identifier:	N-(hydroxycarbamoyl)-L-phenylalanine

LI0

LI0
Name:	4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE
Formula:	C36 H40 N4 O6 S2
SMILES:	[O-][N+](=O)c2cc(ccc2NC(C)(C)CSc1ccccc1)S(=O)(=O)NC(=O)c3ccc(cc3)N4CCC(OC)(CC4)Cc5ccccc5
InChi:	InChI=1S/C36H40N4O6S2/c1-35(2,26-47-30-12-8-5-9-13-30)37-32-19-18-31(24-33(32)40(42)43)48(44,45)38-34(41)28-14-16-29(17-15-28)39-22-20-36(46-3,21-23-39)25-27-10-6-4-7-11-27/h4-19,24,37H,20-23,25-26H2,1-3H3,(H,38,41)
Definition date:	2006-12-08
Last modified:	2011-06-04
Identifier:	4-(4-benzyl-4-methoxypiperidin-1-yl)-N-[(4-{[1,1-dimethyl-2-(phenylsulfanyl)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide

LI8

LI8
Name:	N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN-1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN-4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDE
Formula:	C23 H31 Br N8 O3
SMILES:	O=C(Nc2cccc(Nc1nc(NCCCNC(=O)C(C(=O)N)(C)C)c(Br)cn1)c2)N3CCCC3
InChi:	InChI=1S/C23H31BrN8O3/c1-23(2,19(25)33)20(34)27-10-6-9-26-18-17(24)14-28-21(31-18)29-15-7-5-8-16(13-15)30-22(35)32-11-3-4-12-32/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H2,25,33)(H,27,34)(H,30,35)(H2,26,28,29,31)
Definition date:	2005-03-21
Last modified:	2011-06-04
Identifier:	N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylpropanediamide

LIE

LIE
Name:	2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE
Formula:	C20 H16 F3 N5 O
SMILES:	Fc4cccc(F)c4Oc1ncc2nc(n(c2n1)C(C)C)Nc3ccccc3F
InChi:	InChI=1S/C20H16F3N5O/c1-11(2)28-18-16(26-19(28)25-15-9-4-3-6-12(15)21)10-24-20(27-18)29-17-13(22)7-5-8-14(17)23/h3-11H,1-2H3,(H,25,26)
Definition date:	2006-05-10
Last modified:	2011-06-04
Identifier:	2-(2,6-difluorophenoxy)-N-(2-fluorophenyl)-9-(1-methylethyl)-9H-purin-8-amine

LIJ

LIJ
Name:	BENZYL [(1S)-2-({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)-2-OXO-1-{[(1-PROPYLBUTYL)SULFONYL]METHYL}ETHYL]CARBAMATE
Formula:	C36 H49 N3 O7 S
SMILES:	O=S(=O)(C(CCC)CCC)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc2ccccc2)C(O)CNCc3cc(OC)ccc3
InChi:	InChI=1S/C36H49N3O7S/c1-4-13-31(14-5-2)47(43,44)26-33(39-36(42)46-25-28-17-10-7-11-18-28)35(41)38-32(22-27-15-8-6-9-16-27)34(40)24-37-23-29-19-12-20-30(21-29)45-3/h6-12,15-21,31-34,37,40H,4-5,13-14,22-26H2,1-3H3,(H,38,41)(H,39,42)/t32-,33+,34+/m0/s1
Definition date:	2006-07-10
Last modified:	2011-06-04
Identifier:	benzyl [(1S)-2-({(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}amino)-2-oxo-1-{[(1-propylbutyl)sulfonyl]methyl}ethyl]carbamate

3HI

3HI
Name:	(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Formula:	C33 H35 F N2 O6
SMILES:	O=C(O)CC(O)CC(O)CCn2c(c(c(c2c1ccc(F)cc1)c3ccccc3)C(=O)Nc4ccccc4O)C(C)C
InChi:	InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t24-,25-/m1/s1
Definition date:	2008-02-27
Last modified:	2011-06-04
Identifier:	(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid

LIQ

LIQ
Name:	N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)-3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)-2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE
Formula:	C33 H42 F2 N4 O5 S
SMILES:	O=C(NC(C(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNCc2cccc(c2)CC)CS(=O)(=O)CCCCC)c3cccnc3
InChi:	InChI=1S/C33H42F2N4O5S/c1-3-5-6-13-45(43,44)22-30(39-32(41)26-11-8-12-36-20-26)33(42)38-29(17-25-15-27(34)18-28(35)16-25)31(40)21-37-19-24-10-7-9-23(4-2)14-24/h7-12,14-16,18,20,29-31,37,40H,3-6,13,17,19,21-22H2,1-2H3,(H,38,42)(H,39,41)/t29-,30+,31+/m0/s1
Definition date:	2006-07-11
Last modified:	2011-06-04
Identifier:	N-{(1S)-2-({(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}amino)-2-oxo-1-[(pentylsulfonyl)methyl]ethyl}pyridine-3-carboxamide

LIU

LIU
Name:	N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide
Formula:	C30 H36 N4 O5 S2
SMILES:	[O-][N+](=O)c2cc(ccc2NC(C)(C)CSc1ccccc1)S(=O)(=O)NC(=O)c3ccc(cc3)N4CCC(CC4)(C)C
InChi:	InChI=1S/C30H36N4O5S2/c1-29(2)16-18-33(19-17-29)23-12-10-22(11-13-23)28(35)32-41(38,39)25-14-15-26(27(20-25)34(36)37)31-30(3,4)21-40-24-8-6-5-7-9-24/h5-15,20,31H,16-19,21H2,1-4H3,(H,32,35)
Definition date:	2006-12-07
Last modified:	2011-06-04
Identifier:	N-[(4-{[1,1-dimethyl-2-(phenylsulfanyl)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide

LIW

LIW
Name:	4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-1-YL]-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE
Formula:	C40 H41 N5 O5 S2
SMILES:	[O-][N+](=O)c2cc(ccc2NC(C)(C)CSc1ccccc1)S(=O)(=O)NC(=O)c6ccc(N5CCN(Cc4c(c3ccccc3)cccc4)CC5)cc6
InChi:	InChI=1S/C40H41N5O5S2/c1-40(2,29-51-34-14-7-4-8-15-34)41-37-22-21-35(27-38(37)45(47)48)52(49,50)42-39(46)31-17-19-33(20-18-31)44-25-23-43(24-26-44)28-32-13-9-10-16-36(32)30-11-5-3-6-12-30/h3-22,27,41H,23-26,28-29H2,1-2H3,(H,42,46)
Definition date:	2006-12-08
Last modified:	2011-06-04
Identifier:	4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-N-[(4-{[1,1-dimethyl-2-(phenylsulfanyl)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide

LIZ

LIZ
Name:	N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine
Formula:	C30 H45 N5 O13 S
SMILES:	S=C(NC(CO)(CO)CO)Nc1ccc(cc1)CC(N(CC(=O)O)CC(=O)O)CN(CC(=O)O)C2CCCCC2N(CC(=O)O)CC(=O)O
InChi:	InChI=1S/C30H45N5O13S/c36-16-30(17-37,18-38)32-29(49)31-20-7-5-19(6-8-20)9-21(33(11-24(39)40)12-25(41)42)10-34(13-26(43)44)22-3-1-2-4-23(22)35(14-27(45)46)15-28(47)48/h5-8,21-23,36-38H,1-4,9-18H2,(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,31,32,49)/t21-,22+,23+/m1/s1
Definition date:	2008-07-27
Last modified:	2011-06-04
Identifier:	N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine

3IO

3IO
Name:	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID
Formula:	C11 H9 N O3
SMILES:	O=C(O)C(=O)Cc2c1ccccc1nc2
InChi:	InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)
Definition date:	2006-03-06
Last modified:	2011-06-04
Identifier:	3-(1H-indol-3-yl)-2-oxopropanoic acid

LLY

LLY
Name:	NZ-(DICARBOXYMETHYL)LYSINE
Formula:	C9 H16 N2 O6
SMILES:	O=C(O)C(C(=O)O)NCCCCC(N)C(=O)O
InChi:	InChI=1S/C9H16N2O6/c10-5(7(12)13)3-1-2-4-11-6(8(14)15)9(16)17/h5-6,11H,1-4,10H2,(H,12,13)(H,14,15)(H,16,17)/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	{[(5S)-5-amino-5-carboxypentyl]amino}propanedioic acid

LMG

LMG
Name:	1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE
Formula:	C45 H86 O10
SMILES:	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C45H86O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-46,49-51H,3-37H2,1-2H3/t38-,39-,42+,43+,44-,45-/m1/s1
Definition date:	2001-06-25
Last modified:	2011-06-04
Identifier:	(2S)-3-(beta-D-galactopyranosyloxy)propane-1,2-diyl dioctadecanoate

JAR

JAR
Name:	6-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(1-methylethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Formula:	C20 H25 N5 O
SMILES:	O=C1NC(=Nc2c1cnn2C(C)C)C4C(C)CN(Cc3ccccc3)C4
InChi:	InChI=1S/C20H25N5O/c1-13(2)25-19-16(9-21-25)20(26)23-18(22-19)17-12-24(10-14(17)3)11-15-7-5-4-6-8-15/h4-9,13-14,17H,10-12H2,1-3H3,(H,22,23,26)/t14-,17-/m1/s1
Definition date:	2009-09-16
Last modified:	2011-06-04
Identifier:	6-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(propan-2-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

JH0

JH0
Name:	6-(HYDROXY-HEXADECANOYL-AMINO)-2-{[(4S)-2-(2-HYDROXY-PHENYL)-4,5-DIHYDRO-OXAZOLE-4-CARBONYL]-AMINO}-HEXANOIC ACID 2-[(3S)-1-(TERT-BUTYL-DIPHENYL-SILANYLOXY)-2-OXO-AZEPAN-3-YLCARBAMOYL]-(1S)-1-METHYL-ETHYL ESTER
Formula:	C58 H85 N5 O10 Si
SMILES:	O=C(NC(C(=O)OC(CC(=O)NC3C(=O)N(O[Si](c1ccccc1)(c2ccccc2)C(C)(C)C)CCCC3)C)CCCCN(O)C(=O)CCCCCCCCCCCCCCC)C4N=C(OC4)c5c(O)cccc5
InChi:	InChI=1S/C58H85N5O10Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-39-53(66)62(70)40-29-27-37-49(60-54(67)50-43-71-55(61-50)47-35-25-26-38-51(47)64)57(69)72-44(2)42-52(65)59-48-36-28-30-41-63(56(48)68)73-74(58(3,4)5,45-31-20-18-21-32-45)46-33-22-19-23-34-46/h18-23,25-26,31-35,38,44,48-50,64,70H,6-17,24,27-30,36-37,39-43H2,1-5H3,(H,59,65)(H,60,67)/t44-,48+,49+,50-/m1/s1
Definition date:	2005-01-21
Last modified:	2011-06-04
Identifier:	(1R)-3-{[(3S)-1-{[tert-butyl(diphenyl)silyl]oxy}-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl N~6~-hexadecanoyl-N~6~-hydroxy-N~2~-{[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}-L-lysinate

JJJ

JJJ
Name:	S-(pyridin-3-ylcarbonyl)-L-cysteine
Formula:	C9 H10 N2 O3 S
SMILES:	O=C(O)C(N)CSC(=O)c1cccnc1
InChi:	InChI=1S/C9H10N2O3S/c10-7(8(12)13)5-15-9(14)6-2-1-3-11-4-6/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1
Definition date:	2010-08-06
Last modified:	2011-06-04
Identifier:	S-(pyridin-3-ylcarbonyl)-L-cysteine

JJK

JJK
Name:	S-[(S)-hydroxy(pyridin-3-yl)methyl]-L-cysteine
Formula:	C9 H12 N2 O3 S
SMILES:	O=C(O)C(N)CSC(O)c1cccnc1
InChi:	InChI=1S/C9H12N2O3S/c10-7(8(12)13)5-15-9(14)6-2-1-3-11-4-6/h1-4,7,9,14H,5,10H2,(H,12,13)/t7-,9-/m0/s1
Definition date:	2010-08-06
Last modified:	2011-06-04
Identifier:	S-[(S)-hydroxy(pyridin-3-yl)methyl]-L-cysteine

JJL

JJL
Name:	S-[(S)-hydroxy(5-methoxypyridin-3-yl)methyl]-L-cysteine
Formula:	C10 H14 N2 O4 S
SMILES:	O=C(O)C(N)CSC(O)c1cncc(OC)c1
InChi:	InChI=1S/C10H14N2O4S/c1-16-7-2-6(3-12-4-7)10(15)17-5-8(11)9(13)14/h2-4,8,10,15H,5,11H2,1H3,(H,13,14)/t8-,10-/m0/s1
Definition date:	2010-08-06
Last modified:	2011-06-04
Identifier:	S-[(S)-hydroxy(5-methoxypyridin-3-yl)methyl]-L-cysteine

3LP

3LP
Name:	1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL
Formula:	C22 H32 N2 O
SMILES:	OC(CNC1CCCCC1)Cn2c4c(c3c2CCCC3)cc(cc4)C
InChi:	InChI=1S/C22H32N2O/c1-16-11-12-22-20(13-16)19-9-5-6-10-21(19)24(22)15-18(25)14-23-17-7-3-2-4-8-17/h11-13,17-18,23,25H,2-10,14-15H2,1H3/t18-/m0/s1
Definition date:	2007-03-28
Last modified:	2011-06-04
Identifier:	(2S)-1-(cyclohexylamino)-3-(6-methyl-1,2,3,4-tetrahydro-9H-carbazol-9-yl)propan-2-ol

JM4

JM4
Name:	N~5~-{3-[(1-methylethyl)sulfanyl]propanimidoyl}-L-ornithine
Formula:	C11 H23 N3 O2 S
SMILES:	O=C(O)C(N)CCCNC(=[N@H])CCSC(C)C
InChi:	InChI=1S/C11H23N3O2S/c1-8(2)17-7-5-10(13)14-6-3-4-9(12)11(15)16/h8-9H,3-7,12H2,1-2H3,(H2,13,14)(H,15,16)/t9-/m0/s1
Definition date:	2009-09-17
Last modified:	2011-06-04
Identifier:	N~5~-[(1Z)-3-(propan-2-ylsulfanyl)propanimidoyl]-L-ornithine

JM8

JM8
Name:	N~5~-[(3-(ethylsulfanyl)propanimidoyl]-L-ornithine
Formula:	C10 H21 N3 O2 S
SMILES:	O=C(O)C(N)CCCNC(=[N@H])CCSCC
InChi:	InChI=1S/C10H21N3O2S/c1-2-16-7-5-9(12)13-6-3-4-8(11)10(14)15/h8H,2-7,11H2,1H3,(H2,12,13)(H,14,15)/t8-/m0/s1
Definition date:	2009-09-15
Last modified:	2011-06-04
Identifier:	N~5~-[(1E)-3-(ethylsulfanyl)propanimidoyl]-L-ornithine

3NF

3NF
Name:	N-acetyl-L-tyrosine
Formula:	C11 H13 N O4
SMILES:	O=C(O)C(NC(=O)C)Cc1ccc(O)cc1
InChi:	InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1
Definition date:	2010-06-11
Last modified:	2011-06-04
Identifier:	N-acetyl-L-tyrosine

3NP

3NP
Name:	3-NITROPROPANOIC ACID
Formula:	C3 H5 N O4
SMILES:	[O-][N+](=O)CCC(=O)O
InChi:	InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)
Definition date:	2005-02-09
Last modified:	2011-06-04
Identifier:	3-nitropropanoic acid

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