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DAH

DAH
Name:	3,4-DIHYDROXYPHENYLALANINE
Formula:	C9 H11 N O4
SMILES:	O=C(O)C(N)Cc1cc(O)c(O)cc1
InChi:	InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
Synonyms:	L-DOPA
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-hydroxy-L-tyrosine

DBY

DBY
Name:	3,5 DIBROMOTYROSINE
Formula:	C9 H9 Br2 N O3
SMILES:	Brc1cc(cc(Br)c1O)CC(C(=O)O)N
InChi:	InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3,5-dibromo-L-tyrosine

DBZ

DBZ
Name:	3-(BENZOYLAMINO)-L-ALANINE
Formula:	C10 H12 N2 O3
SMILES:	O=C(NCC(C(=O)O)N)c1ccccc1
InChi:	InChI=1S/C10H12N2O3/c11-8(10(14)15)6-12-9(13)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)(H,14,15)/t8-/m0/s1
Definition date:	2004-03-14
Last modified:	2023-11-03
Identifier:	3-[(phenylcarbonyl)amino]-L-alanine

DC0

DC0
Name:	N-[(2S)-2-amino-4-methylpentyl]-L-phenylalanine
Formula:	C15 H24 N2 O2
SMILES:	O=C(O)C(NCC(N)CC(C)C)Cc1ccccc1
InChi:	InChI=1S/C15H24N2O2/c1-11(2)8-13(16)10-17-14(15(18)19)9-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10,16H2,1-2H3,(H,18,19)/t13-,14-/m0/s1
Definition date:	2010-10-09
Last modified:	2023-11-03
Identifier:	N-[(2S)-2-amino-4-methylpentyl]-L-phenylalanine

DDE

DDE
Name:	{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-TRIMETHYL-AMMONIUM
Formula:	C13 H24 N5 O3
SMILES:	O=C(O)C(N)Cc1nc(nc1)CCC(C(=O)N)[N+](C)(C)C
InChi:	InChI=1S/C13H23N5O3/c1-18(2,3)10(12(15)19)4-5-11-16-7-8(17-11)6-9(14)13(20)21/h7,9-10H,4-6,14H2,1-3H3,(H3-,15,16,17,19,20,21)/p+1/t9-,10+/m0/s1
Synonyms:	DIPHTHAMIDE
Definition date:	2004-07-29
Last modified:	2023-11-03
Identifier:	(2R)-1-amino-4-{4-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-N,N,N-trimethyl-1-oxobutan-2-aminium

DFF

DFF
Name:	4-benzoyl-D-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-/m1/s1
Definition date:	2013-12-24
Last modified:	2023-11-03
Release date:	2014-05-21
Identifier:	4-benzoyl-D-phenylalanine

DFI

DFI
Name:	2,2-DIFLUOROSTATINE
Formula:	C8 H15 F2 N O3
SMILES:	FC(F)(C(=O)O)C(O)C(N)CC(C)C
InChi:	InChI=1S/C8H15F2NO3/c1-4(2)3-5(11)6(12)8(9,10)7(13)14/h4-6,12H,3,11H2,1-2H3,(H,13,14)/t5-,6+/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-6-methylheptanoic acid

DFO

DFO
Name:	2,2-DIFLUORO-3-HYDROSTATINE
Formula:	C8 H15 F2 N O4
SMILES:	FC(F)(C(=O)O)C(O)(O)C(N)CC(C)C
InChi:	InChI=1S/C8H15F2NO4/c1-4(2)3-5(11)8(14,15)7(9,10)6(12)13/h4-5,14-15H,3,11H2,1-2H3,(H,12,13)/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(4S)-4-amino-2,2-difluoro-3,3-dihydroxy-6-methylheptanoic acid

DI7

DI7
Name:	2,6-dimethyl-L-tyrosine
Formula:	C11 H15 N O3
SMILES:	O=C(O)C(N)Cc1c(cc(O)cc1C)C
InChi:	InChI=1S/C11H15NO3/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15/h3-4,10,13H,5,12H2,1-2H3,(H,14,15)/t10-/m0/s1
Definition date:	2014-12-10
Last modified:	2023-11-03
Release date:	2015-01-14
Identifier:	2,6-dimethyl-L-tyrosine

DJD

DJD
Name:	4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine
Formula:	C12 H13 N5 O2
SMILES:	NC(Cc1ccc(cc1)c2nnc(C)nn2)C(O)=O
InChi:	InChI=1S/C12H13N5O2/c1-7-14-16-11(17-15-7)9-4-2-8(3-5-9)6-10(13)12(18)19/h2-5,10H,6,13H2,1H3,(H,18,19)/t10-/m0/s1
Definition date:	2017-10-26
Last modified:	2023-11-03
Release date:	2019-10-02
Identifier:	4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine

ASL

ASL
Name:	ASPARTIC ACID-4-CARBOXYETHYL ESTER
Formula:	C7 H11 N O6
SMILES:	O=C(OC(C(=O)O)C)CC(C(=O)O)N
InChi:	InChI=1S/C7H11NO6/c1-3(6(10)11)14-5(9)2-4(8)7(12)13/h3-4H,2,8H2,1H3,(H,10,11)(H,12,13)
Definition date:	1999-09-09
Last modified:	2023-11-03
Identifier:	2-amino-4-(1-carboxyethoxy)-4-oxobutanoic acid (non-preferred name)

AUX

AUX
Name:	4-METHYL-4-[8-QUINOLINIUM-4-ENE]-4,N-METHYL-THREONINE
Formula:	C21 H29 N2 O3
SMILES:	CN[CH]([CH](O)[CH](C)CC=CCCC[n+]1cccc2ccccc12)C(O)=O
InChi:	InChI=1S/C21H28N2O3/c1-16(20(24)19(22-2)21(25)26)10-5-3-4-8-14-23-15-9-12-17-11-6-7-13-18(17)23/h3,5-7,9,11-13,15-16,19-20,22,24H,4,8,10,14H2,1-2H3/p+1/b5-3+/t16-,19+,20-/m1/s1
Definition date:	2015-05-14
Last modified:	2023-11-03
Release date:	2015-12-29
Identifier:	(E,2S,3R,4R)-4-methyl-2-(methylamino)-3-oxidanyl-10-quinolin-1-ium-1-yl-dec-6-enoic acid

AY0

AY0
Name:	(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid
Formula:	C12 H14 N O7 P
SMILES:	O=C(NC)C2C(c1ccc(OP(=O)(O)O)cc1)C2C(=O)O
InChi:	InChI=1S/C12H14NO7P/c1-13-11(14)9-8(10(9)12(15)16)6-2-4-7(5-3-6)20-21(17,18)19/h2-5,8-10H,1H3,(H,13,14)(H,15,16)(H2,17,18,19)/t8-,9+,10+/m0/s1
Definition date:	2010-10-09
Last modified:	2023-11-03
Identifier:	(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid

B2C

B2C
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H16 Br N3 O5
SMILES:	C(O)(C)C(C2=NC(=[C@H]c1cc(Br)c(cc1)O)C(N2CC(O)=O)=O)N
InChi:	InChI=1S/C15H16BrN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1
Definition date:	2019-04-02
Last modified:	2023-11-03
Release date:	2020-04-08
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

B2H

B2H
Name:	Chromophore (Thr, Trp, Gly)
Formula:	C17 H20 N4 O4
SMILES:	C[CH](O)[CH](N)c1nc(Cc2c[nH]c3ccccc23)c(O)n1CC(O)=O
InChi:	InChI=1S/C17H20N4O4/c1-9(22)15(18)16-20-13(17(25)21(16)8-14(23)24)6-10-7-19-12-5-3-2-4-11(10)12/h2-5,7,9,15,19,22,25H,6,8,18H2,1H3,(H,23,24)/t9-,15+/m1/s1
Definition date:	2017-09-06
Last modified:	2023-11-03
Release date:	2017-11-29
Identifier:	2-[2-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid

B3Y

B3Y
Name:	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID
Formula:	C10 H13 N O3
SMILES:	O=C(O)CC(N)Cc1ccc(O)cc1
InChi:	InChI=1S/C10H13NO3/c11-8(6-10(13)14)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)/t8-/m0/s1
Definition date:	2007-02-28
Last modified:	2023-11-03
Identifier:	(3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid

IYR

IYR
Name:	3-IODO-TYROSINE
Formula:	C9 H10 I N O3
SMILES:	Ic1cc(ccc1O)CC(C(=O)O)N
InChi:	InChI=1S/C9H10INO3/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:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-iodo-L-tyrosine

J2F

J2F
Name:	(2~{S})-2-azanyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid
Formula:	C16 H16 N2 O5
SMILES:	N[CH](Cc1ccc(OCc2ccccc2[N+]([O-])=O)cc1)C(O)=O
InChi:	InChI=1S/C16H16N2O5/c17-14(16(19)20)9-11-5-7-13(8-6-11)23-10-12-3-1-2-4-15(12)18(21)22/h1-8,14H,9-10,17H2,(H,19,20)/t14-/m0/s1
Definition date:	2022-08-04
Last modified:	2023-11-03
Release date:	2022-09-21
Identifier:	(2~{S})-2-azanyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid

J9A

J9A
Name:	N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine
Formula:	C8 H15 N3 O5
SMILES:	O=C(O)CCC(N)C(=O)NCC(C(=O)O)N
InChi:	InChI=1S/C8H15N3O5/c9-4(1-2-6(12)13)7(14)11-3-5(10)8(15)16/h4-5H,1-3,9-10H2,(H,11,14)(H,12,13)(H,15,16)/t4-,5-/m0/s1
Definition date:	2018-08-24
Last modified:	2023-11-03
Release date:	2019-08-14
Identifier:	N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine

JBY

JBY
Name:	(2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid
Formula:	C14 H15 N3 O4
SMILES:	C1(=NC(C(=O)N1C(C(=O)O)C)=C/c2ccc(O)cc2)CN
InChi:	InChI=1S/C14H15N3O4/c1-8(14(20)21)17-12(7-15)16-11(13(17)19)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,20,21)/b11-6-/t8-/m0/s1
Synonyms:	Gly-Ala-Try Chromophore
Definition date:	2018-08-29
Last modified:	2023-11-03
Release date:	2019-03-13
Identifier:	(2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid

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

JMO

JMO
Name:	(2R)-4-cyano-2-[(2~{S})-2-(methylamino)propanoyl]oxy-butanoic acid
Formula:	C9 H14 N2 O4
SMILES:	CN[CH](C)C(=O)O[CH](CCC#N)C(O)=O
InChi:	InChI=1S/C9H14N2O4/c1-6(11-2)9(14)15-7(8(12)13)4-3-5-10/h6-7,11H,3-4H2,1-2H3,(H,12,13)/t6-,7+/m0/s1
Definition date:	2022-05-05
Last modified:	2023-11-03
Release date:	2023-03-22
Identifier:	(2~{R})-4-cyano-2-[(2~{S})-2-(methylamino)propanoyl]oxy-butanoic acid

JMX

JMX
Name:	(2S)-3-[1-[(4-bromophenyl)methyl]indol-3-yl]-2-(methylamino)propanoic acid
Formula:	C19 H19 Br N2 O2
SMILES:	CN[CH](Cc1cn(Cc2ccc(Br)cc2)c3ccccc13)C(O)=O
InChi:	InChI=1S/C19H19BrN2O2/c1-21-17(19(23)24)10-14-12-22(18-5-3-2-4-16(14)18)11-13-6-8-15(20)9-7-13/h2-9,12,17,21H,10-11H2,1H3,(H,23,24)/t17-/m0/s1
Synonyms:	SC45647
Definition date:	2022-05-05
Last modified:	2023-11-03
Release date:	2023-03-22
Identifier:	(2~{S})-3-[1-[(4-bromophenyl)methyl]indol-3-yl]-2-(methylamino)propanoic acid

JQ0

JQ0
Name:	methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoate
Formula:	C15 H24 N2 O3
SMILES:	COC(=O)CN1[CH](CC(C)C)C=C[CH]2CCN[CH]2C1=O
InChi:	InChI=1S/C15H24N2O3/c1-10(2)8-12-5-4-11-6-7-16-14(11)15(19)17(12)9-13(18)20-3/h4-5,10-12,14,16H,6-9H2,1-3H3/t11-,12-,14-/m0/s1
Definition date:	2023-08-08
Last modified:	2023-11-03
Release date:	2023-08-16
Identifier:	methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoate

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