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PBF

PBF
Name:	PARA-(BENZOYL)-PHENYLALANINE
Formula:	C16 H15 N O3
SMILES:	O=C(O)C(N)Cc1ccc(cc1)C(=O)c2ccccc2
InChi:	InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1
Definition date:	2000-02-22
Last modified:	2023-11-03
Identifier:	4-(phenylcarbonyl)-L-phenylalanine

7T2

7T2
Name:	(2S)-3-(4-chlorophenyl)-2-(methylamino)propanoic acid
Formula:	C10 H12 Cl N O2
SMILES:	CN[CH](Cc1ccc(Cl)cc1)C(O)=O
InChi:	InChI=1S/C10H12ClNO2/c1-12-9(10(13)14)6-7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3,(H,13,14)/t9-/m0/s1
Definition date:	2021-10-22
Last modified:	2023-11-03
Release date:	2023-07-26
Identifier:	(2~{S})-3-(4-chlorophenyl)-2-(methylamino)propanoic acid

7VU

7VU
Name:	(2S)-2-(ethylamino)-3-(4-methylphenyl)propanoic acid
Formula:	C12 H17 N O2
SMILES:	CCN[CH](Cc1ccc(C)cc1)C(O)=O
InChi:	InChI=1S/C12H17NO2/c1-3-13-11(12(14)15)8-10-6-4-9(2)5-7-10/h4-7,11,13H,3,8H2,1-2H3,(H,14,15)/t11-/m0/s1
Definition date:	2021-10-29
Last modified:	2023-11-03
Release date:	2023-07-26
Identifier:	(2~{S})-2-(ethylamino)-3-(4-methylphenyl)propanoic acid

7W2

7W2
Name:	(2S)-2-azanyl-4-[3,5-bis(fluoranyl)-4-(trifluoromethyl)phenyl]butanoic acid
Formula:	C11 H10 F5 N O2
SMILES:	N[CH](CCc1cc(F)c(c(F)c1)C(F)(F)F)C(O)=O
InChi:	InChI=1S/C11H10F5NO2/c12-6-3-5(1-2-8(17)10(18)19)4-7(13)9(6)11(14,15)16/h3-4,8H,1-2,17H2,(H,18,19)/t8-/m0/s1
Definition date:	2021-10-29
Last modified:	2023-11-03
Release date:	2023-07-26
Identifier:	(2~{S})-2-azanyl-4-[3,5-bis(fluoranyl)-4-(trifluoromethyl)phenyl]butanoic acid

PF5

PF5
Name:	2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE
Formula:	C9 H6 F5 N O2
SMILES:	Fc1c(c(F)c(F)c(F)c1F)CC(C(=O)O)N
InChi:	InChI=1S/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1
Synonyms:	FLUORINATED PHENYLALANINE
Definition date:	2006-09-12
Last modified:	2023-11-03
Identifier:	2,3,4,5,6-pentafluoro-L-phenylalanine

7WJ

7WJ
Name:	(2S)-2-amino-4-[([1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carbonyl)amino]butanoic acid
Formula:	C20 H19 N5 O3
SMILES:	C(=O)(O)C(CCNC(c2cc(c1ncccc1)nc(c2)c3ccccn3)=O)N
InChi:	InChI=1S/C20H19N5O3/c21-14(20(27)28)7-10-24-19(26)13-11-17(15-5-1-3-8-22-15)25-18(12-13)16-6-2-4-9-23-16/h1-6,8-9,11-12,14H,7,10,21H2,(H,24,26)(H,27,28)/t14-/m0/s1
Definition date:	2016-12-08
Last modified:	2023-11-03
Release date:	2017-02-22
Identifier:	(2S)-2-amino-4-[([1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carbonyl)amino]butanoic acid

7XC

7XC
Name:	(2R)-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid
Formula:	C10 H14 N4 O2
SMILES:	N[CH](Cc1ccc(NC(N)=N)cc1)C(O)=O
InChi:	InChI=1S/C10H14N4O2/c11-8(9(15)16)5-6-1-3-7(4-2-6)14-10(12)13/h1-4,8H,5,11H2,(H,15,16)(H4,12,13,14)/t8-/m1/s1
Definition date:	2017-02-02
Last modified:	2023-11-03
Release date:	2018-07-11
Identifier:	(2~{R})-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid

PH6

PH6
Name:	(4S)-4-cyclohexyl-L-proline
Formula:	C11 H19 N O2
SMILES:	O=C(O)C2NCC(C1CCCCC1)C2
InChi:	InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1
Definition date:	2015-02-06
Last modified:	2023-11-03
Release date:	2015-06-03
Identifier:	(4S)-4-cyclohexyl-L-proline

PH8

PH8
Name:	5-phenyl-L-norvaline
Formula:	C11 H15 N O2
SMILES:	C(O)(=O)C(N)CCCc1ccccc1
InChi:	InChI=1S/C11H15NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,14)/t10-/m0/s1
Definition date:	2015-03-10
Last modified:	2023-11-03
Release date:	2015-04-15
Identifier:	5-phenyl-L-norvaline

PIA

PIA
Name:	[(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:	C14 H15 N3 O4
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)C)=Cc2ccc(O)cc2
InChi:	InChI=1S/C14H15N3O4/c1-8(15)13-16-11(14(21)17(13)7-12(19)20)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,19,20)/b11-6-/t8-/m0/s1
Definition date:	2001-06-22
Last modified:	2023-11-03
Identifier:	[(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

BP4

BP4
Name:	biphenyl-4-ylacetic acid
Formula:	C14 H12 O2
SMILES:	O=C(O)Cc1ccc(cc1)c2ccccc2
InChi:	InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
Definition date:	2002-08-23
Last modified:	2023-11-03
Identifier:	biphenyl-4-ylacetic acid

23S

23S
Name:	(S)-2-AMINO-3-(6H-SELENOLO[2,3-B]-PYRROL-4-YL)-PROPIONIC ACID
Formula:	C9 H10 N2 O2 Se
SMILES:	O=C(O)C(N)Cc2c1cc[se]c1nc2
InChi:	InChI=1S/C9H10N2O2Se/c10-7(9(12)13)3-5-4-11-8-6(5)1-2-14-8/h1-2,4,7,11H,3,10H2,(H,12,13)/t7-/m0/s1
Definition date:	2004-01-02
Last modified:	2023-11-03
Identifier:	3-(6H-selenopheno[2,3-b]pyrrol-4-yl)-L-alanine

24M

24M
Name:	(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid
Formula:	C12 H23 N O3
SMILES:	O=C(O)C1CCCC1C(O)C(N)CC(C)C
InChi:	InChI=1S/C12H23NO3/c1-7(2)6-10(13)11(14)8-4-3-5-9(8)12(15)16/h7-11,14H,3-6,13H2,1-2H3,(H,15,16)/t8-,9-,10+,11+/m1/s1
Definition date:	2011-02-15
Last modified:	2023-11-03
Identifier:	(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid

24O

24O
Name:	(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid
Formula:	C12 H21 N O4
SMILES:	O=C(O)C1CC(=O)CC1C(O)C(N)CC(C)C
InChi:	InChI=1S/C12H21NO4/c1-6(2)3-10(13)11(15)8-4-7(14)5-9(8)12(16)17/h6,8-11,15H,3-5,13H2,1-2H3,(H,16,17)/t8-,9-,10+,11+/m1/s1
Definition date:	2011-02-15
Last modified:	2023-11-03
Identifier:	(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid

BTK

BTK
Name:	N~6~-butanoyl-L-lysine
Formula:	C10 H20 N2 O3
SMILES:	O=C(O)C(N)CCCCNC(=O)CCC
InChi:	InChI=1S/C10H20N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
Definition date:	2010-05-18
Last modified:	2023-11-03
Identifier:	N~6~-butanoyl-L-lysine

BTR

BTR
Name:	6-BROMO-TRYPTOPHAN
Formula:	C11 H11 Br N2 O2
SMILES:	O=C(O)C(N)Cc2c1ccc(Br)cc1nc2
InChi:	InChI=1S/C11H11BrN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	6-bromo-L-tryptophan

BWV

BWV
Name:	N~5~-(N-butylcarbamimidoyl)-L-ornithine
Formula:	C10 H22 N4 O2
SMILES:	NC(C(O)=O)CCCN/C(NCCCC)=N
InChi:	InChI=1S/C10H22N4O2/c1-2-3-6-13-10(12)14-7-4-5-8(11)9(15)16/h8H,2-7,11H2,1H3,(H,15,16)(H3,12,13,14)/t8-/m0/s1
Definition date:	2017-09-01
Last modified:	2023-11-03
Release date:	2017-12-13
Identifier:	N~5~-(N-butylcarbamimidoyl)-L-ornithine

BYR

BYR
Name:	3-bromo-L-tyrosine
Formula:	C9 H10 Br N O3
SMILES:	Brc1cc(ccc1O)CC(C(=O)O)N
InChi:	InChI=1S/C9H10BrNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
Definition date:	2013-12-17
Last modified:	2023-11-03
Release date:	2015-08-19
Identifier:	3-bromo-L-tyrosine

BZK

BZK
Name:	(2S, 4S, 6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid
Formula:	C11 H21 N O4
SMILES:	CCC(=O)C[CH](O)C[CH](C)C[CH](N)C(O)=O
InChi:	InChI=1S/C11H21NO4/c1-3-8(13)6-9(14)4-7(2)5-10(12)11(15)16/h7,9-10,14H,3-6,12H2,1-2H3,(H,15,16)/t7-,9+,10+/m1/s1
Definition date:	2017-11-01
Last modified:	2023-11-03
Release date:	2018-07-18
Identifier:	(2~{S},4~{S},6~{S})-2-azanyl-4-methyl-6-oxidanyl-8-oxidanylidene-decanoic acid

C0F

C0F
Name:	(4~{R})-2-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Formula:	C12 H14 N4 O3 S
SMILES:	N[CH](Cc1ccnc(c1)C2=N[CH](CS2)C(O)=O)C(N)=O
InChi:	InChI=1S/C12H14N4O3S/c13-7(10(14)17)3-6-1-2-15-8(4-6)11-16-9(5-20-11)12(18)19/h1-2,4,7,9H,3,5,13H2,(H2,14,17)(H,18,19)/t7-,9-/m0/s1
Definition date:	2019-04-03
Last modified:	2023-11-03
Release date:	2019-06-26
Identifier:	(4~{R})-2-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C1J

C1J
Name:	N~5~-(N-octylcarbamimidoyl)-L-ornithine
Formula:	C14 H30 N4 O2
SMILES:	NC(C(O)=O)CCCN/C(NCCCCCCCC)=N
InChi:	InChI=1S/C14H30N4O2/c1-2-3-4-5-6-7-10-17-14(16)18-11-8-9-12(15)13(19)20/h12H,2-11,15H2,1H3,(H,19,20)(H3,16,17,18)/t12-/m0/s1
Definition date:	2017-09-08
Last modified:	2023-11-03
Release date:	2017-12-13
Identifier:	N~5~-(N-octylcarbamimidoyl)-L-ornithine

C1X

C1X
Name:	(Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)DIHYDRO-2H-THIOPYRAN-3(4H)-YLIDENE]-L-LYSINE
Formula:	C16 H26 N2 O6 S
SMILES:	O=C(O)C(N)CCCC/N=C1/CSCC(CCC(=O)O)C1CC(=O)O
InChi:	InChI=1S/C16H26N2O6S/c17-12(16(23)24)3-1-2-6-18-13-9-25-8-10(4-5-14(19)20)11(13)7-15(21)22/h10-12H,1-9,17H2,(H,19,20)(H,21,22)(H,23,24)/b18-13-/t10-,11-,12+/m1/s1
Synonyms:	2-AMINO-6-[5-(2-CARBOXY-ETHYL)-4-CARBOXYMETHYL-DIHYDRO-THIOPYRAN-3-YLIDENEAMINO]-HEXANOIC ACID
Definition date:	2005-09-11
Last modified:	2023-11-03
Identifier:	(E)-N~6~-[(4R,5S)-5-(2-carboxyethyl)-4-(carboxymethyl)dihydro-2H-thiopyran-3(4H)-ylidene]-L-lysine

823

823
Name:	N,N-bis(3-sulfanylpropyl)-L-asparagine
Formula:	C10 H20 N2 O3 S2
SMILES:	O=C(O)C(N)CC(=O)N(CCCS)CCCS
InChi:	InChI=1S/C10H20N2O3S2/c11-8(10(14)15)7-9(13)12(3-1-5-16)4-2-6-17/h8,16-17H,1-7,11H2,(H,14,15)/t8-/m0/s1
Definition date:	2014-02-19
Last modified:	2023-11-03
Release date:	2014-09-24
Identifier:	N,N-bis(3-sulfanylpropyl)-L-asparagine

JG3

JG3
Name:	1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline
Formula:	C15 H22 N2 O3
SMILES:	O=C(O)C2N(CC(O)C(N)Cc1ccccc1)CCC2
InChi:	InChI=1S/C15H22N2O3/c16-12(9-11-5-2-1-3-6-11)14(18)10-17-8-4-7-13(17)15(19)20/h1-3,5-6,12-14,18H,4,7-10,16H2,(H,19,20)/t12-,13-,14-/m0/s1
Definition date:	2010-09-13
Last modified:	2023-11-03
Identifier:	1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline

JLP

JLP
Name:	(2S)-2-azanyl-6-[E-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid
Formula:	C14 H21 N3 O4
SMILES:	Cc1ncc(CO)c(C=NCCCC[CH](N)C(O)=O)c1O
InChi:	InChI=1S/C14H21N3O4/c1-9-13(19)11(10(8-18)6-17-9)7-16-5-3-2-4-12(15)14(20)21/h6-7,12,18-19H,2-5,8,15H2,1H3,(H,20,21)/b16-7+/t12-/m0/s1
Definition date:	2018-06-03
Last modified:	2023-11-03
Release date:	2019-05-29
Identifier:	(2~{S})-2-azanyl-6-[(~{E})-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid

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