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3PM

3PM
Name:	O-tert-butyl-D-serine
Formula:	C7 H15 N O3
SMILES:	O=C(O)C(N)COC(C)(C)C
InChi:	InChI=1S/C7H15NO3/c1-7(2,3)11-4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m1/s1
Definition date:	2010-11-18
Last modified:	2012-01-13
Identifier:	O-tert-butyl-D-serine

5TP

5TP
Name:	3-[(2R)-piperidin-2-yl]-1-(1,3-thiazol-2-yl)propan-1-one
Formula:	C11 H16 N2 O S
SMILES:	O=C(c1nccs1)CCC2NCCCC2
InChi:	InChI=1S/C11H16N2OS/c14-10(11-13-7-8-15-11)5-4-9-3-1-2-6-12-9/h7-9,12H,1-6H2/t9-/m1/s1
Definition date:	2011-02-03
Last modified:	2012-01-13
Identifier:	3-[(2R)-piperidin-2-yl]-1-(1,3-thiazol-2-yl)propan-1-one

P0L

P0L
Name:	(2S)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid
Formula:	C14 H22 N O5 P
SMILES:	O=C(O)C(OP(=O)(O)C(N)CC(C)C)Cc1ccccc1
InChi:	InChI=1S/C14H22NO5P/c1-10(2)8-13(15)21(18,19)20-12(14(16)17)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,15H2,1-2H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1
Definition date:	2010-10-28
Last modified:	2012-01-13
Identifier:	(2S)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid

00F

00F
Name:	(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
Formula:	C12 H18 N O4 P
SMILES:	O=C(O)C(C)CP(=O)(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C12H18NO4P/c1-9(12(14)15)8-18(16,17)11(13)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3,(H,14,15)(H,16,17)/t9-,11-/m1/s1
Definition date:	2010-08-16
Last modified:	2012-01-13
Identifier:	(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid

00H

00H
Name:	3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid
Formula:	C11 H16 N O4 P
SMILES:	O=C(O)CCP(=O)(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C11H16NO4P/c12-10(8-9-4-2-1-3-5-9)17(15,16)7-6-11(13)14/h1-5,10H,6-8,12H2,(H,13,14)(H,15,16)/t10-/m1/s1
Definition date:	2010-08-21
Last modified:	2012-01-13
Identifier:	3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid

00O

00O
Name:	beta-phenyl-D-phenylalanine
Formula:	C15 H15 N O2
SMILES:	O=C(O)C(N)C(c1ccccc1)c2ccccc2
InChi:	InChI=1S/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)/t14-/m1/s1
Definition date:	2010-11-12
Last modified:	2012-01-13
Identifier:	beta-phenyl-D-phenylalanine

019

019
Name:	methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamic acid
Formula:	C9 H14 N2 O2 S
SMILES:	O=C(O)N(Cc1nc(sc1)C(C)C)C
InChi:	InChI=1S/C9H14N2O2S/c1-6(2)8-10-7(5-14-8)4-11(3)9(12)13/h5-6H,4H2,1-3H3,(H,12,13)
Definition date:	2010-12-10
Last modified:	2012-01-13
Identifier:	methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamic acid

01J

01J
Name:	N-[(S)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-D-phenylalanine
Formula:	C20 H24 N2 O4
SMILES:	O=C(O)C(NC(O)N1CCOCC1)C(c2ccccc2)c3ccccc3
InChi:	InChI=1S/C20H24N2O4/c23-19(24)18(21-20(25)22-11-13-26-14-12-22)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18,20-21,25H,11-14H2,(H,23,24)/t18-,20+/m1/s1
Definition date:	2011-02-22
Last modified:	2012-01-13
Identifier:	N-[(S)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-D-phenylalanine

01N

01N
Name:	N-(carboxymethyl)-3-cyclohexyl-D-alanine
Formula:	C11 H19 N O4
SMILES:	O=C(O)C(NCC(=O)O)CC1CCCCC1
InChi:	InChI=1S/C11H19NO4/c13-10(14)7-12-9(11(15)16)6-8-4-2-1-3-5-8/h8-9,12H,1-7H2,(H,13,14)(H,15,16)/t9-/m1/s1
Definition date:	2011-02-24
Last modified:	2012-01-13
Identifier:	N-(carboxymethyl)-3-cyclohexyl-D-alanine

026

026
Name:	3-(piperazin-1-yl)propan-1-amine
Formula:	C7 H17 N3
SMILES:	N1CCN(CCCN)CC1
InChi:	InChI=1S/C7H17N3/c8-2-1-5-10-6-3-9-4-7-10/h9H,1-8H2
Definition date:	2011-02-25
Last modified:	2012-01-13
Identifier:	3-(piperazin-1-yl)propan-1-amine

02Q

02Q
Name:	3-(2-methylphenyl)propanoic acid
Formula:	C10 H12 O2
SMILES:	O=C(O)CCc1ccccc1C
InChi:	InChI=1S/C10H12O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
Definition date:	2011-06-24
Last modified:	2012-01-13
Identifier:	3-(2-methylphenyl)propanoic acid

02X

02X
Name:	(2S)-2-(propan-2-yl)butanedioic acid
Formula:	C7 H12 O4
SMILES:	O=C(O)C(CC(=O)O)C(C)C
InChi:	InChI=1S/C7H12O4/c1-4(2)5(7(10)11)3-6(8)9/h4-5H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-/m0/s1
Definition date:	2011-07-12
Last modified:	2012-01-13
Identifier:	(2S)-2-(propan-2-yl)butanedioic acid

03J

03J
Name:	3-[4-(4-phenylthiophen-2-yl)phenyl]propanoic acid
Formula:	C19 H16 O2 S
SMILES:	O=C(O)CCc3ccc(c2scc(c1ccccc1)c2)cc3
InChi:	InChI=1S/C19H16O2S/c20-19(21)11-8-14-6-9-16(10-7-14)18-12-17(13-22-18)15-4-2-1-3-5-15/h1-7,9-10,12-13H,8,11H2,(H,20,21)
Definition date:	2011-09-29
Last modified:	2012-01-13
Identifier:	3-[4-(4-phenylthiophen-2-yl)phenyl]propanoic 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

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

RT1

RT1
Name:	(2S)-3-[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
Formula:	C12 H18 N O4 P
SMILES:	O=C(O)C(C)CP(=O)(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C12H18NO4P/c1-9(12(14)15)8-18(16,17)11(13)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3,(H,14,15)(H,16,17)/t9-,11-/m1/s1
Definition date:	2010-03-14
Last modified:	2012-01-13
Identifier:	(2S)-3-[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid

VAS

VAS
Name:	(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoic acid
Formula:	C15 H29 N O3
SMILES:	O=C(O)C(C(C)C)CC(O)C(N)CC1CCCCC1
InChi:	InChI=1S/C15H29NO3/c1-10(2)12(15(18)19)9-14(17)13(16)8-11-6-4-3-5-7-11/h10-14,17H,3-9,16H2,1-2H3,(H,18,19)/t12-,13-,14-/m0/s1
Definition date:	1999-07-08
Last modified:	2012-01-11
Identifier:	(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(propan-2-yl)hexanoic acid

TFN

TFN
Name:	N-(benzylsulfonyl)-O-tert-butyl-D-seryl-N-(4-carbamimidoylbenzyl)glycinamide
Formula:	C24 H33 N5 O5 S
SMILES:	O=S(=O)(NC(C(=O)NCC(=O)NCc1ccc(C(=[N@H])N)cc1)COC(C)(C)C)Cc2ccccc2
InChi:	InChI=1S/C24H33N5O5S/c1-24(2,3)34-15-20(29-35(32,33)16-18-7-5-4-6-8-18)23(31)28-14-21(30)27-13-17-9-11-19(12-10-17)22(25)26/h4-12,20,29H,13-16H2,1-3H3,(H3,25,26)(H,27,30)(H,28,31)/t20-/m1/s1
Definition date:	2010-11-18
Last modified:	2012-01-11
Identifier:	N-(benzylsulfonyl)-O-tert-butyl-D-seryl-N-(4-carbamimidoylbenzyl)glycinamide

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

XCX

XCX
Name:	2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylpropanoic acid
Formula:	C26 H34 N2 O4
SMILES:	O=C(O)C(Oc1ccc(cc1)CCN(c2nc3ccccc3o2)CCCCCCC)(C)C
InChi:	InChI=1S/C26H34N2O4/c1-4-5-6-7-10-18-28(25-27-22-11-8-9-12-23(22)31-25)19-17-20-13-15-21(16-14-20)32-26(2,3)24(29)30/h8-9,11-16H,4-7,10,17-19H2,1-3H3,(H,29,30)
Definition date:	2011-04-04
Last modified:	2012-01-06
Identifier:	2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylpropanoic acid

LBW

LBW
Name:	3-[2-[(Z)-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
Formula:	C33 H37 N4 O6
SMILES:	CC=C1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3[NH+]=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
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/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p+1/b20-7+,26-13-,27-14-,28-15-/t19-/m1/s1
Definition date:	2011-12-31
Last modified:	2012-01-06
Identifier:	3-[2-[(Z)-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

0DU

0DU
Name:	N-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-L-phenylalanine
Formula:	C24 H19 Cl2 F3 N2 O4
SMILES:	O=C3C(c1ccc(cc1)CC(C(=O)O)NC(=O)c2c(Cl)cccc2Cl)=C(C=C(N3C)C)C(F)(F)F
InChi:	InChI=1S/C24H19Cl2F3N2O4/c1-12-10-15(24(27,28)29)19(22(33)31(12)2)14-8-6-13(7-9-14)11-18(23(34)35)30-21(32)20-16(25)4-3-5-17(20)26/h3-10,18H,11H2,1-2H3,(H,30,32)(H,34,35)/t18-/m0/s1
Definition date:	2011-12-16
Last modified:	2012-01-06
Identifier:	N-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-L-phenylalanine

VRG

VRG
Name:	N~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithyl-N-methyl-L-phenylalanyl-L-aspartic acid
Formula:	C24 H35 N7 O8
SMILES:	O=C(NC)NC(=[N@H])NCCCC(NC(=O)C)C(=O)N(C(C(=O)NC(C(=O)O)CC(=O)O)Cc1ccccc1)C
InChi:	InChI=1S/C24H35N7O8/c1-14(32)28-16(10-7-11-27-23(25)30-24(39)26-2)21(36)31(3)18(12-15-8-5-4-6-9-15)20(35)29-17(22(37)38)13-19(33)34/h4-6,8-9,16-18H,7,10-13H2,1-3H3,(H,28,32)(H,29,35)(H,33,34)(H,37,38)(H4,25,26,27,30,39)/t16-,17-,18-/m0/s1
Definition date:	2008-03-11
Last modified:	2012-01-05
Identifier:	N~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithyl-N-methyl-L-phenylalanyl-L-aspartic acid

WRG

WRG
Name:	(2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanoyl]-methyl-amino]-3-phenyl-propanoic acid
Formula:	C20 H30 N6 O5
SMILES:	O=C(NC)NC(=[N@H])NCCCC(NC(=O)C)C(=O)N(C(C(=O)O)Cc1ccccc1)C
InChi:	InChI=1S/C20H30N6O5/c1-13(27)24-15(10-7-11-23-19(21)25-20(31)22-2)17(28)26(3)16(18(29)30)12-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-12H2,1-3H3,(H,24,27)(H,29,30)(H4,21,22,23,25,31)/t15-,16-/m0/s1
Definition date:	2008-03-11
Last modified:	2012-01-05
Identifier:	N~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithyl-N-methyl-L-phenylalanine

SPS

SPS
Name:	SPARSOMYCIN
Formula:	C13 H19 N3 O5 S2
SMILES:	O=C1NC(=C(C=CC(=O)NC(CS(=O)CSC)CO)C(=O)N1)C
InChi:	InChI=1S/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+/t9-,23+/m0/s1
Definition date:	2002-08-01
Last modified:	2012-01-05
Identifier:	(2E)-N-[(1S)-2-hydroxy-1-({(R)-[(methylsulfanyl)methyl]sulfinyl}methyl)ethyl]-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-enamide

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