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0BN

0BN
Name:	4-carbamimidoyl-L-phenylalanine
Formula:	C10 H13 N3 O2
SMILES:	O=C(O)C(N)Cc1ccc(cc1)C(=[N@H])N
InChi:	InChI=1S/C10H13N3O2/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H,14,15)/t8-/m0/s1
Definition date:	2010-09-25
Last modified:	2023-11-03
Identifier:	4-carbamimidoyl-L-phenylalanine

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

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

0CS

0CS
Name:	3-[(S)-HYDROPEROXYSULFINYL]-L-ALANINE
Formula:	C3 H7 N O5 S
SMILES:	O=C(O)C(N)CS(=O)OO
InChi:	InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(8)9-7/h2,7H,1,4H2,(H,5,6)/t2-,10-/m0/s1
Definition date:	2007-01-19
Last modified:	2023-11-03
Identifier:	3-[(S)-hydroperoxysulfinyl]-L-alanine

0E5

0E5
Name:	(2S,3R)-2-azanyl-3-methyl-3-oxidanyl-pentanoic acid
Formula:	C6 H13 N O3
SMILES:	O=C(O)C(N)C(O)(C)CC
InChi:	InChI=1S/C6H13NO3/c1-3-6(2,10)4(7)5(8)9/h4,10H,3,7H2,1-2H3,(H,8,9)/t4-,6?/m1/s1
Definition date:	2011-12-22
Last modified:	2023-11-03
Identifier:	(2S,3S)-2-amino-3-hydroxy-3-methylpentanoic acid (non-preferred name)

0EA

0EA
Name:	(betaR)-beta,3-dihydroxy-N-methyl-L-tyrosine
Formula:	C10 H13 N O5
SMILES:	O=C(O)C(NC)C(O)c1cc(O)c(O)cc1
InChi:	InChI=1S/C10H13NO5/c1-11-8(10(15)16)9(14)5-2-3-6(12)7(13)4-5/h2-4,8-9,11-14H,1H3,(H,15,16)/t8-,9+/m0/s1
Definition date:	2011-12-22
Last modified:	2023-11-03
Identifier:	(betaR)-beta,3-dihydroxy-N-methyl-L-tyrosine

0EH

0EH
Name:	(2R)-2-amino-2-methylnonanoic acid
Formula:	C10 H21 N O2
SMILES:	O=C(O)C(N)(CCCCCCC)C
InChi:	InChI=1S/C10H21NO2/c1-3-4-5-6-7-8-10(2,11)9(12)13/h3-8,11H2,1-2H3,(H,12,13)/t10-/m1/s1
Definition date:	2011-12-26
Last modified:	2023-11-03
Identifier:	(2R)-2-amino-2-methylnonanoic 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

7NW

7NW
Name:	2-methyl-1,3-thiazole-4-carboxylic acid
Formula:	C5 H5 N O2 S
SMILES:	Cc1scc(n1)C(O)=O
InChi:	InChI=1S/C5H5NO2S/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)
Definition date:	2016-11-29
Last modified:	2023-11-03
Release date:	2017-12-20
Identifier:	2-methyl-1,3-thiazole-4-carboxylic acid

7O5

7O5
Name:	(2~{S})-2-azanyl-3-(2-sulfanylethanoylamino)propanoic acid
Formula:	C5 H10 N2 O3 S
SMILES:	N[CH](CNC(=O)CS)C(O)=O
InChi:	InChI=1S/C5H10N2O3S/c6-3(5(9)10)1-7-4(8)2-11/h3,11H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
Definition date:	2016-12-01
Last modified:	2023-11-03
Release date:	2020-05-27
Identifier:	(2~{S})-2-azanyl-3-(2-sulfanylethanoylamino)propanoic acid

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

7OZ

7OZ
Name:	(S)-2-amino-4-fluorobutanoic acid
Formula:	C4 H8 F N O2
SMILES:	N[CH](CCF)C(O)=O
InChi:	InChI=1S/C4H8FNO2/c5-2-1-3(6)4(7)8/h3H,1-2,6H2,(H,7,8)/t3-/m0/s1
Synonyms:	(2S)-2-azanyl-4-fluoranyl-butanoic acid
Definition date:	2021-08-16
Last modified:	2023-11-03
Release date:	2022-03-09
Identifier:	(2~{S})-2-azanyl-4-fluoranyl-butanoic acid

7QK

7QK
Name:	N~6~-acetyl-N~6~-methyl-L-lysine
Formula:	C9 H18 N2 O3
SMILES:	NC(CCCCN(C)C(C)=O)C(=O)O
InChi:	InChI=1S/C9H18N2O3/c1-7(12)11(2)6-4-3-5-8(10)9(13)14/h8H,3-6,10H2,1-2H3,(H,13,14)/t8-/m0/s1
Definition date:	2021-08-17
Last modified:	2023-11-03
Release date:	2023-07-26
Identifier:	N~6~-acetyl-N~6~-methyl-L-lysine

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

7R0

7R0
Name:	2-[(4E)-2-[(1S)-1-azanyl-2-(1H-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula:	C17 H17 N5 O4
SMILES:	N[CH](Cc1c[nH]cn1)C2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O
InChi:	InChI=1S/C17H17N5O4/c18-13(6-11-7-19-9-20-11)16-21-14(17(26)22(16)8-15(24)25)5-10-1-3-12(23)4-2-10/h1-5,7,9,13,23H,6,8,18H2,(H,19,20)(H,24,25)/b14-5+/t13-/m0/s1
Synonyms:	CHROMOPHORE (HIS-TYR-GLY)
Definition date:	2021-08-21
Last modified:	2023-11-03
Release date:	2021-09-01
Identifier:	2-[(4~{E})-2-[(1~{S})-1-azanyl-2-(1~{H}-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid

7R6

7R6
Name:	2-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula:	C17 H14 N4 O4
SMILES:	OC(=O)CN1C(=O)C(=Cc2ccc(O)cc2)N=C1C=Cc3c[nH]cn3
InChi:	InChI=1S/C17H14N4O4/c22-13-4-1-11(2-5-13)7-14-17(25)21(9-16(23)24)15(20-14)6-3-12-8-18-10-19-12/h1-8,10,22H,9H2,(H,18,19)(H,23,24)/b6-3+,14-7+
Synonyms:	RED CHROMOPHORE (HIS, TYR, GLY)
Definition date:	2021-08-21
Last modified:	2023-11-03
Release date:	2021-09-01
Identifier:	2-[(4~{E})-4-[(4-hydroxyphenyl)methylidene]-2-[(~{E})-2-(1~{H}-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic 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

PAQ

PAQ
Name:	2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE
Formula:	C14 H16 N4 O4
SMILES:	O=C(O)C(N)CC2C=C(NNc1ncccc1)C(O)=CC2=O
InChi:	InChI=1S/C14H16N4O4/c15-9(14(21)22)5-8-6-10(12(20)7-11(8)19)17-18-13-3-1-2-4-16-13/h1-4,6-9,17,20H,5,15H2,(H,16,18)(H,21,22)/t8-,9+/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-[(1R)-4-hydroxy-6-oxo-3-(2-pyridin-2-ylhydrazino)cyclohexa-2,4-dien-1-yl]-L-alanine

PAT

PAT
Name:	ALPHA-PHOSPHONO-TRYPTOPHAN
Formula:	C11 H13 N2 O5 P
SMILES:	O=C(O)C(N)(P(=O)(O)O)Cc2c1ccccc1nc2
InChi:	InChI=1S/C11H13N2O5P/c12-11(10(14)15,19(16,17)18)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5,12H2,(H,14,15)(H2,16,17,18)
Definition date:	2001-03-12
Last modified:	2023-11-03
Identifier:	alpha-phosphono-L-tryptophan

7SF

7SF
Name:	4-chloranyl-3-(trifluoromethyl)benzenesulfonic acid
Formula:	C7 H4 Cl F3 O3 S
SMILES:	O[S](=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F
InChi:	InChI=1S/C7H4ClF3O3S/c8-6-2-1-4(15(12,13)14)3-5(6)7(9,10)11/h1-3H,(H,12,13,14)
Definition date:	2022-02-28
Last modified:	2023-11-03
Release date:	2022-10-05
Identifier:	4-chloranyl-3-(trifluoromethyl)benzenesulfonic acid

PBE

PBE
Name:	1,1-DIMETHYL-PROLINIUM
Formula:	C7 H14 N O2
SMILES:	O=C(O)C1[N+](C)(C)CCC1
InChi:	InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m0/s1
Synonyms:	PROLINE BETAINE
Definition date:	2000-04-20
Last modified:	2023-11-03
Identifier:	(2S)-2-carboxy-1,1-dimethylpyrrolidinium

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

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