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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

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

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

PEA

PEA
Name:	2-PHENYLETHYLAMINE
Formula:	C8 H12 N
SMILES:	c1ccccc1CC[NH3+]
InChi:	InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/p+1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	2-phenylethanaminium

PFF

PFF
Name:	4-FLUORO-L-PHENYLALANINE
Formula:	C9 H10 F N O2
SMILES:	Fc1ccc(cc1)CC(C(=O)O)N
InChi:	InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:	2003-07-30
Last modified:	2023-11-03
Identifier:	4-fluoro-L-phenylalanine

PFX

PFX
Name:	2-[2-(2-azanylethoxy)ethoxy]ethanoic acid
Formula:	C6 H13 N O4
SMILES:	NCCOCCOCC(O)=O
InChi:	InChI=1S/C6H13NO4/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H,8,9)
Definition date:	2008-10-17
Last modified:	2023-11-03
Identifier:	2-[2-(2-azanylethoxy)ethoxy]ethanoic acid

PG9

PG9
Name:	D-PHENYLGLYCINE
Formula:	C8 H9 N O2
SMILES:	O=C(O)C(N)c1ccccc1
InChi:	InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1
Definition date:	2005-10-07
Last modified:	2023-11-03
Identifier:	(2R)-amino(phenyl)ethanoic acid

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

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

PHA

PHA
Name:	PHENYLALANINAL
Formula:	C9 H11 N O
SMILES:	O=CC(N)Cc1ccccc1
InChi:	InChI=1S/C9H11NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,7,9H,6,10H2/t9-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(2S)-2-amino-3-phenylpropanal

PHE

PHE
Name:	PHENYLALANINE
Formula:	C9 H11 N O2
SMILES:	O=C(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	L-phenylalanine

PHI

PHI
Name:	IODO-PHENYLALANINE
Formula:	C9 H10 I N O2
SMILES:	Ic1ccc(cc1)CC(C(=O)O)N
InChi:	InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	4-iodo-L-phenylalanine

PHL

PHL
Name:	L-PHENYLALANINOL
Formula:	C9 H13 N O
SMILES:	OCC(N)Cc1ccccc1
InChi:	InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1
Synonyms:	bound form of Phenylalaninal
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(2S)-2-amino-3-phenylpropan-1-ol

PHQ

PHQ
Name:	benzyl chlorocarbonate
Formula:	C8 H7 Cl O2
SMILES:	ClC(=O)OCc1ccccc1
InChi:	InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2
Definition date:	1999-07-15
Last modified:	2023-11-03
Identifier:	benzyl carbonochloridate

PIV

PIV
Name:	PIVALIC ACID
Formula:	C5 H10 O2
SMILES:	O=C(O)C(C)(C)C
InChi:	InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	2,2-dimethylpropanoic acid

PJ6

PJ6
Name:	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C20 H17 Cl N2 O3
SMILES:	Clc1ccc2OCCC(OC)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C20H17ClN2O3/c1-25-20(8-9-26-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide

PJE

PJE
Name:	(E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid
Formula:	C9 H14 N2 O3
SMILES:	N[CH](C[CH]1CCNC1=O)C=CC(O)=O
InChi:	InChI=1S/C9H14N2O3/c10-7(1-2-8(12)13)5-6-3-4-11-9(6)14/h1-2,6-7H,3-5,10H2,(H,11,14)(H,12,13)/b2-1+/t6-,7+/m0/s1
Definition date:	2015-11-24
Last modified:	2023-11-03
Release date:	2015-12-02
Identifier:	(E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid

PJJ

PJJ
Name:	(2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid
Formula:	C19 H23 N O3
SMILES:	O=C(O)C(Cc1ccccc1)CC(O)C(N)Cc2ccccc2
InChi:	InChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18+/m1/s1
Definition date:	2010-08-20
Last modified:	2023-11-03
Identifier:	(2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid

PJX

PJX
Name:	(4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
Formula:	C20 H18 Cl N3 O
SMILES:	Clc1ccc2c(c1)C(CCN2C)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C20H18ClN3O/c1-24-9-8-16(17-10-14(21)6-7-19(17)24)20(25)23-18-12-22-11-13-4-2-3-5-15(13)18/h2-7,10-12,16H,8-9H2,1H3,(H,23,25)/t16-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide

PKW

PKW
Name:	(4R)-6-chloro-N-(1-methyl-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C17 H15 Cl N4 O2
SMILES:	Cn1cnc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c12
InChi:	InChI=1S/C17H15ClN4O2/c1-22-9-20-13-7-19-8-14(16(13)22)21-17(23)11-4-5-24-15-3-2-10(18)6-12(11)15/h2-3,6-9,11H,4-5H2,1H3,(H,21,23)/t11-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-(1-methyl-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

PLW

PLW
Name:	(2S)-2-[5-(1S,2S)-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID
Formula:	C10 H18 N4 O2
SMILES:	O=C(O)C(n1nncc1C(N)C(C)CC)C
InChi:	InChI=1S/C10H18N4O2/c1-4-6(2)9(11)8-5-12-13-14(8)7(3)10(15)16/h5-7,9H,4,11H2,1-3H3,(H,15,16)/t6-,7-,9-/m0/s1
Definition date:	2011-12-08
Last modified:	2023-11-03
Identifier:	(2S)-2-{5-[(1S,2S)-1-amino-2-methylbutyl]-1H-1,2,3-triazol-1-yl}propanoic acid

PM3

PM3
Name:	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-PROPIONIC ACID
Formula:	C10 H14 N O5 P
SMILES:	O=C(O)C(N)Cc1ccc(cc1)CP(=O)(O)O
InChi:	InChI=1S/C10H14NO5P/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H2,14,15,16)/t9-/m0/s1
Definition date:	2006-05-03
Last modified:	2023-11-03
Identifier:	4-(phosphonomethyl)-L-phenylalanine

3AZ

3AZ
Name:	3-(aminomethyl)benzoic acid
Formula:	C8 H9 N O2
SMILES:	O=C(O)c1cccc(c1)CN
InChi:	InChI=1S/C8H9NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5,9H2,(H,10,11)
Definition date:	2010-10-14
Last modified:	2023-11-03
Identifier:	3-(aminomethyl)benzoic acid

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