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D2T

D2T
Name:	(3R)-3-(methylsulfanyl)-L-aspartic acid
Formula:	C5 H9 N O4 S
SMILES:	NC(C(=O)O)C(SC)C(=O)O
InChi:	InChI=1S/C5H9NO4S/c1-11-3(5(9)10)2(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3+/m0/s1
Definition date:	2015-03-02
Last modified:	2023-11-03
Release date:	2015-03-18
Identifier:	(3R)-3-(methylsulfanyl)-L-aspartic acid

O5C

O5C
Name:	1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one
Formula:	C18 H14 F N O2
SMILES:	Fc1ccc(cc1)C(=O)c1c(C)c(c2ccccn12)C(C)=O
InChi:	InChI=1S/C18H14FNO2/c1-11-16(12(2)21)15-5-3-4-10-20(15)17(11)18(22)13-6-8-14(19)9-7-13/h3-10H,1-2H3
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one

D3P

D3P
Name:	(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID
Formula:	C8 H9 N O4
SMILES:	O=C(O)C(c1cc(O)cc(O)c1)N
InChi:	InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m1/s1
Definition date:	2004-09-08
Last modified:	2023-11-03
Identifier:	(2R)-amino(3,5-dihydroxyphenyl)ethanoic acid

O65

O65
Name:	3,5-bis(hydroxymethyl)-4-methyl-benzaldehyde
Formula:	C10 H12 O4
SMILES:	Cc1c(CO)cc(cc1CO)C(O)=O
InChi:	InChI=1S/C10H12O4/c1-6-8(4-11)2-7(10(13)14)3-9(6)5-12/h2-3,11-12H,4-5H2,1H3,(H,13,14)
Definition date:	2020-02-10
Last modified:	2023-11-03
Release date:	2021-02-17
Identifier:	3,5-bis(hydroxymethyl)-4-methyl-benzoic acid

D4P

D4P
Name:	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID
Formula:	C8 H9 N O3
SMILES:	O=C(O)C(N)c1ccc(O)cc1
InChi:	InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1
Definition date:	2004-09-08
Last modified:	2023-11-03
Identifier:	(2S)-amino(4-hydroxyphenyl)ethanoic acid

O7D

O7D
Name:	4-methoxy-N-methyl-L-tryptophan
Formula:	C13 H16 N2 O3
SMILES:	CNC(Cc1cnc2cccc(c12)OC)C(=O)O
InChi:	InChI=1S/C13H16N2O3/c1-14-10(13(16)17)6-8-7-15-9-4-3-5-11(18-2)12(8)9/h3-5,7,10,14-15H,6H2,1-2H3,(H,16,17)/t10-/m0/s1
Definition date:	2019-06-17
Last modified:	2023-11-03
Release date:	2020-05-13
Identifier:	4-methoxy-N-methyl-L-tryptophan

P2Q

P2Q
Name:	2-hydroxy-5-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1yl]amino}-L-tyrosine
Formula:	C20 H22 N2 O6
SMILES:	N[CH](Cc1cc(N[CH](C=O)C=CCOc2ccccc2)c(O)cc1O)C(O)=O
InChi:	InChI=1S/C20H22N2O6/c21-16(20(26)27)9-13-10-17(19(25)11-18(13)24)22-14(12-23)5-4-8-28-15-6-2-1-3-7-15/h1-7,10-12,14,16,22,24-25H,8-9,21H2,(H,26,27)/b5-4+/t14-,16-/m0/s1
Synonyms:	3-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1-yl]amino}-6-hydroxy-L-tyrosine
Definition date:	2009-11-10
Last modified:	2023-11-03
Identifier:	(2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E,2S)-1-oxo-5-phenoxy-pent-3-en-2-yl]amino]phenyl]propanoic acid

P3L

P3L
Name:	(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C15 H17 Cl N2 O3
SMILES:	O=C1CC(CCN1)NC(=O)C1CCOc2ccc(Cl)cc21
InChi:	InChI=1S/C15H17ClN2O3/c16-9-1-2-13-12(7-9)11(4-6-21-13)15(20)18-10-3-5-17-14(19)8-10/h1-2,7,10-11H,3-6,8H2,(H,17,19)(H,18,20)/t10-,11-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide

P3Q

P3Q
Name:	2-hydroxy-5-{[(1E)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-L-tyrosine
Formula:	C21 H24 N2 O5
SMILES:	N[CH](Cc1cc(NC(CCCc2ccccc2)=CC=O)c(O)cc1O)C(O)=O
InChi:	InChI=1S/C21H24N2O5/c22-17(21(27)28)11-15-12-18(20(26)13-19(15)25)23-16(9-10-24)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,17,23,25-26H,4,7-8,11,22H2,(H,27,28)/b16-9+/t17-/m0/s1
Definition date:	2009-11-19
Last modified:	2023-11-03
Identifier:	(2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E)-1-oxo-6-phenyl-hex-2-en-3-yl]amino]phenyl]propanoic acid

P4E

P4E
Name:	(2S,4E)-2-amino-5-phenylpent-4-enoic acid
Formula:	C11 H13 N O2
SMILES:	O=C(O)C(N)C/C=C/c1ccccc1
InChi:	InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1
Definition date:	2011-10-13
Last modified:	2023-11-03
Identifier:	(2S,4E)-2-amino-5-phenylpent-4-enoic acid

P4R

P4R
Name:	(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione
Formula:	C20 H14 Cl N3 O3
SMILES:	Clc1ccc2OCCC3(NC(=O)N(C3=O)c3cncc4ccccc43)c2c1
InChi:	InChI=1S/C20H14ClN3O3/c21-13-5-6-17-15(9-13)20(7-8-27-17)18(25)24(19(26)23-20)16-11-22-10-12-3-1-2-4-14(12)16/h1-6,9-11H,7-8H2,(H,23,26)/t20-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione

D8R

D8R
Name:	(2~{S})-2-azanyl-6-[[(2~{R})-2-oxidanylpropanoyl]amino]hexanoic acid
Formula:	C9 H18 N2 O4
SMILES:	C[CH](O)C(=O)NCCCC[CH](N)C(O)=O
InChi:	InChI=1S/C9H18N2O4/c1-6(12)8(13)11-5-3-2-4-7(10)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)/t6-,7+/m1/s1
Definition date:	2022-04-11
Last modified:	2023-11-03
Release date:	2023-05-10
Identifier:	(2~{S})-2-azanyl-6-[[(2~{R})-2-oxidanylpropanoyl]amino]hexanoic acid

P6O

P6O
Name:	(4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide
Formula:	C19 H14 Cl N3 O3
SMILES:	Clc1ccc2NC(=O)CC(O)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C19H14ClN3O3/c20-12-5-6-15-14(7-12)19(26,8-17(24)22-15)18(25)23-16-10-21-9-11-3-1-2-4-13(11)16/h1-7,9-10,26H,8H2,(H,22,24)(H,23,25)/t19-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide

P6S

P6S
Name:	benzyl hydrogen carbonate
Formula:	C8 H8 O3
SMILES:	C(OC(=O)O)c1ccccc1
InChi:	InChI=1S/C8H8O3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
Definition date:	2019-08-02
Last modified:	2023-11-03
Release date:	2020-02-05
Identifier:	benzyl hydrogen carbonate

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

DAV

DAV
Name:	DELTA-AMINO VALERIC ACID
Formula:	C5 H12 N O2
SMILES:	O=C(O)CCCC[NH3+]
InChi:	InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)/p+1
Definition date:	1999-09-15
Last modified:	2023-11-03
Identifier:	4-carboxybutan-1-aminium

P7R

P7R
Name:	(4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C17 H15 Cl N4 O3
SMILES:	CN1c2c(NC1=O)cncc2NC(=O)C1CCOc2ccc(Cl)cc21
InChi:	InChI=1S/C17H15ClN4O3/c1-22-15-12(7-19-8-13(15)21-17(22)24)20-16(23)10-4-5-25-14-3-2-9(18)6-11(10)14/h2-3,6-8,10H,4-5H2,1H3,(H,20,23)(H,21,24)/t10-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

DBH

DBH
Name:	2,3-DIHYDROXY-BENZOIC ACID
Formula:	C7 H6 O4
SMILES:	O=C(O)c1cccc(O)c1O
InChi:	InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)
Definition date:	2002-03-20
Last modified:	2023-11-03
Identifier:	2,3-dihydroxybenzoic acid

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

P9O

P9O
Name:	(4R)-6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C18 H18 Cl N3 O2
SMILES:	Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2CCNCc21
InChi:	InChI=1S/C18H18ClN3O2/c19-12-1-2-17-14(7-12)13(4-6-24-17)18(23)22-16-10-21-8-11-3-5-20-9-15(11)16/h1-2,7-8,10,13,20H,3-6,9H2,(H,22,23)/t13-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

P9S

P9S
Name:	dihydroxypropylcysteine
Formula:	C6 H13 N O4 S
SMILES:	N[CH](CSC[CH](O)CO)C(O)=O
InChi:	InChI=1S/C6H13NO4S/c7-5(6(10)11)3-12-2-4(9)1-8/h4-5,8-9H,1-3,7H2,(H,10,11)/t4-,5+/m1/s1
Definition date:	2016-07-26
Last modified:	2023-11-03
Release date:	2017-03-22
Identifier:	(2~{R})-2-azanyl-3-[(2~{R})-2,3-bis(oxidanyl)propyl]sulfanyl-propanoic acid

PAC

PAC
Name:	2-PHENYLACETIC ACID
Formula:	C8 H8 O2
SMILES:	O=C(O)Cc1ccccc1
InChi:	InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	phenylacetic acid

DDZ

DDZ
Name:	3,3-DIHYDROXY L-ALANINE
Formula:	C3 H7 N O4
SMILES:	O=C(O)C(N)C(O)O
InChi:	InChI=1S/C3H7NO4/c4-1(2(5)6)3(7)8/h1-2,5-6H,4H2,(H,7,8)/t1-/m0/s1
Synonyms:	3-HYDROXY-L-SERINE
Definition date:	2000-06-06
Last modified:	2023-11-03
Identifier:	3-hydroxy-L-serine

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