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V44

V44
Name:	S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine
Formula:	C13 H19 N5 O2 S
SMILES:	C(=O)(C(N)CSCC(c1nccn1C)c2n(ccn2)C)O
InChi:	InChI=1S/C13H19N5O2S/c1-17-5-3-15-11(17)9(12-16-4-6-18(12)2)7-21-8-10(14)13(19)20/h3-6,9-10H,7-8,14H2,1-2H3,(H,19,20)/t10-/m0/s1
Definition date:	2020-06-23
Last modified:	2023-11-03
Release date:	2021-06-30
Identifier:	S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine

XXY

XXY
Name:	2-[(1R,2R)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1H-imidazol-5-ylmethyl)-1H-imidazol-5-olate
Formula:	C12 H16 N5 O4
SMILES:	[O-]c1c(nc(n1CC(=O)O)C(N)C(O)C)Cc2cncn2
InChi:	InChI=1S/C12H17N5O4/c1-6(18)10(13)11-16-8(2-7-3-14-5-15-7)12(21)17(11)4-9(19)20/h3,5-6,10,18,21H,2,4,13H2,1H3,(H,14,15)(H,19,20)/p-1/t6-,10+/m1/s1
Synonyms:	CHROMOPHORE THR-HIS-GLY
Definition date:	2006-02-10
Last modified:	2023-11-03
Identifier:	2-[(1R,2R)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1H-imidazol-5-ylmethyl)-1H-imidazol-5-olate

V4F

V4F
Name:	8-(aminomethyl)-4-(phosphonomethoxy)quinoline-2-carboxylic acid
Formula:	C12 H13 N2 O6 P
SMILES:	NCc1cccc2c(OC[P](O)(O)=O)cc(nc12)C(O)=O
InChi:	InChI=1S/C12H13N2O6P/c13-5-7-2-1-3-8-10(20-6-21(17,18)19)4-9(12(15)16)14-11(7)8/h1-4H,5-6,13H2,(H,15,16)(H2,17,18,19)
Definition date:	2023-02-21
Last modified:	2023-11-03
Release date:	2023-07-19
Identifier:	8-(aminomethyl)-4-(phosphonomethoxy)quinoline-2-carboxylic acid

XY1

XY1
Name:	4-[(E)-[5-(2-azanylethyl)-2-oxidanyl-phenyl]diazenyl]benzoic acid
Formula:	C15 H15 N3 O3
SMILES:	O=C(O)c2ccc(/N=N/c1cc(ccc1O)CCN)cc2
InChi:	InChI=1S/C15H15N3O3/c16-8-7-10-1-6-14(19)13(9-10)18-17-12-4-2-11(3-5-12)15(20)21/h1-6,9,19H,7-8,16H2,(H,20,21)/b18-17+
Synonyms:	4-[5-(2-Aminoethyl)-2-hydroxyphenylazo]-benzoic acid
Definition date:	2013-03-12
Last modified:	2023-11-03
Release date:	2014-03-26
Identifier:	4-{(E)-[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl}benzoic acid

UQ4

UQ4
Name:	N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine
Formula:	C9 H8 N4 O5
SMILES:	C(=O)(CCNc1c2c(c(cc1)N(=O)=O)non2)O
InChi:	InChI=1S/C9H8N4O5/c14-7(15)3-4-10-5-1-2-6(13(16)17)9-8(5)11-18-12-9/h1-2,10H,3-4H2,(H,14,15)
Definition date:	2020-05-27
Last modified:	2023-11-03
Release date:	2020-06-03
Identifier:	N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine

XYG

XYG
Name:	[(4Z)-2-[(1Z)-ETHANIMIDOYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Formula:	C14 H13 N3 O4
SMILES:	O=C1C(N=C(C(=[N@H])C)N1CC(=O)O)=Cc2ccc(O)cc2
InChi:	InChI=1S/C14H13N3O4/c1-8(15)13-16-11(14(21)17(13)7-12(19)20)6-9-2-4-10(18)5-3-9/h2-6,15,18H,7H2,1H3,(H,19,20)/b11-6-,15-8+
Synonyms:	CHROMOPHORE (DECARBOXYLATED ASP-TYR-GLY)
Definition date:	2006-11-16
Last modified:	2023-11-03
Identifier:	{(4Z)-2-[(1E)-ethanimidoyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

V53

V53
Name:	8-azanyl-4-(phosphonomethoxy)quinoline-2-carboxylic acid
Formula:	C11 H11 N2 O6 P
SMILES:	Nc1cccc2c(OC[P](O)(O)=O)cc(nc12)C(O)=O
InChi:	InChI=1S/C11H11N2O6P/c12-7-3-1-2-6-9(19-5-20(16,17)18)4-8(11(14)15)13-10(6)7/h1-4H,5,12H2,(H,14,15)(H2,16,17,18)
Definition date:	2023-02-21
Last modified:	2023-11-03
Release date:	2023-07-19
Identifier:	8-azanyl-4-(phosphonomethoxy)quinoline-2-carboxylic acid

YYA

YYA
Name:	2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid
Formula:	C11 H19 N O3
SMILES:	O=C(O)C(NC)C(O)C(CC=C/C=C)C
InChi:	InChI=1S/C11H19NO3/c1-4-5-6-7-8(2)10(13)9(12-3)11(14)15/h4-6,8-10,12-13H,1,7H2,2-3H3,(H,14,15)/b6-5-/t8-,9+,10-/m1/s1
Definition date:	2010-11-19
Last modified:	2023-11-03
Identifier:	2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid

XYX

XYX
Name:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide
Formula:	C24 H23 B N O5
SMILES:	CC(=O)c1ccc(cc1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2
InChi:	InChI=1S/C24H23BNO5/c1-16(27)17-8-10-18(11-9-17)20-5-3-7-22(14-20)26-23(28)13-12-19-4-2-6-21-15-31-25(29,30)24(19)21/h2-11,14,29-30H,12-13,15H2,1H3,(H,26,28)/q-1
Definition date:	2023-06-09
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide

VLT

VLT
Name:	(2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid
Formula:	C11 H13 N O3
SMILES:	O=C(O)C=CC(N)Cc1ccc(O)cc1
InChi:	InChI=1S/C11H13NO3/c12-9(3-6-11(14)15)7-8-1-4-10(13)5-2-8/h1-6,9,13H,7,12H2,(H,14,15)/b6-3+/t9-/m1/s1
Definition date:	2010-09-24
Last modified:	2023-11-03
Identifier:	(2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid

XZC

XZC
Name:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide
Formula:	C23 H23 B N O5
SMILES:	COc1cccc(c1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2
InChi:	InChI=1S/C23H23BNO5/c1-29-21-10-4-7-18(14-21)17-6-3-9-20(13-17)25-22(26)12-11-16-5-2-8-19-15-30-24(27,28)23(16)19/h2-10,13-14,27-28H,11-12,15H2,1H3,(H,25,26)/q-1
Definition date:	2023-06-09
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide

V61

V61
Name:	2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine
Formula:	C9 H6 F4 I N O2
SMILES:	c1(c(c(c(c(c1F)CC(N)C(O)=O)F)F)I)F
InChi:	InChI=1S/C9H6F4INO2/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
Definition date:	2020-07-06
Last modified:	2023-11-03
Release date:	2021-07-07
Identifier:	2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine

VM9

VM9
Name:	(6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine
Formula:	C29 H31 Cl F5 N7 O
SMILES:	FC1CC2(CCCN2C1)COc1nc2c(F)c(c3nc(N)cc(C)c3C(F)(F)F)c(Cl)cc2c(n1)N1CC2CCC(N2)C1
InChi:	InChI=1S/C29H31ClF5N7O/c1-14-7-20(36)38-25(22(14)29(33,34)35)21-19(30)8-18-24(23(21)32)39-27(40-26(18)41-11-16-3-4-17(12-41)37-16)43-13-28-5-2-6-42(28)10-15(31)9-28/h7-8,15-17,37H,2-6,9-13H2,1H3,(H2,36,38)/t15-,16-,17+,28+/m1/s1
Definition date:	2023-09-13
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine

HM7

HM7
Name:	3-methylthioethane-pyrazinedione
Formula:	C8 H10 N2 O3 S2
SMILES:	O=C1N=C(O)C(=NC1=C(/S)O)CCSC
InChi:	InChI=1S/C8H10N2O3S2/c1-15-3-2-4-6(11)10-7(12)5(9-4)8(13)14/h13-14H,2-3H2,1H3,(H,10,11,12)/b8-5-
Definition date:	2011-04-18
Last modified:	2023-11-03
Identifier:	(3Z)-6-hydroxy-3-[hydroxy(sulfanyl)methylidene]-5-[2-(methylsulfanyl)ethyl]pyrazin-2(3H)-one

HM8

HM8
Name:	2-[(1S,2R)-1-amino-2-(sulfooxy)propyl]-5-hydroxy-1,3-oxazole-4-carbothioic O-acid
Formula:	C7 H10 N2 O7 S2
SMILES:	S=C(O)c1nc(oc1O)C(N)C(OS(=O)(=O)O)C
InChi:	InChI=1S/C7H10N2O7S2/c1-2(16-18(12,13)14)3(8)5-9-4(7(11)17)6(10)15-5/h2-3,10H,8H2,1H3,(H,11,17)(H,12,13,14)/t2-,3+/m1/s1
Definition date:	2011-04-18
Last modified:	2023-11-03
Identifier:	2-[(1S,2R)-1-amino-2-(sulfooxy)propyl]-5-hydroxy-1,3-oxazole-4-carbothioic O-acid

HM9

HM9
Name:	6-(3-CARBAMIMIDAMIDOPROPYL)-3,5-DIHYDROXYPYRAZINE-2-CARBOTHIOIC S-ACID
Formula:	C9 H13 N5 O3 S
SMILES:	O=C(S)c1nc(c(O)nc1O)CCCNC(=[N@H])N
InChi:	InChI=1S/C9H13N5O3S/c10-9(11)12-3-1-2-4-6(15)14-7(16)5(13-4)8(17)18/h1-3H2,(H,17,18)(H4,10,11,12)(H2,14,15,16)
Definition date:	2011-04-18
Last modified:	2023-11-03
Identifier:	6-(3-carbamimidamidopropyl)-3,5-dihydroxypyrazine-2-carbothioic S-acid

SEM

SEM
Name:	O-benzyl-L-serine
Formula:	C10 H13 N O3
SMILES:	O=C(O)C(N)COCc1ccccc1
InChi:	InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
Synonyms:	(2S)-2-azanyl-3-phenylmethoxy-propanoic acid
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	O-benzyl-L-serine

BBS

BBS
Name:	4-TERT-BUTYLBENZENESULFONIC ACID
Formula:	C10 H14 O3 S
SMILES:	O=S(=O)(O)c1ccc(cc1)C(C)(C)C
InChi:	InChI=1S/C10H14O3S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)
Definition date:	2000-03-31
Last modified:	2023-11-03
Identifier:	4-tert-butylbenzenesulfonic acid

BCS

BCS
Name:	BENZYLCYSTEINE
Formula:	C10 H13 N O2 S
SMILES:	O=C(O)C(N)CSCc1ccccc1
InChi:	InChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	S-benzyl-L-cysteine

SIC

SIC
Name:	(2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid
Formula:	C7 H10 N2 O4 S
SMILES:	O=C1N(C(=O)CC1N)C(C(=O)O)CS
InChi:	InChI=1S/C7H10N2O4S/c8-3-1-5(10)9(6(3)11)4(2-14)7(12)13/h3-4,14H,1-2,8H2,(H,12,13)/t3-,4-/m0/s1
Definition date:	2008-06-24
Last modified:	2023-11-03
Identifier:	(2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid

BF6

BF6
Name:	[(4Z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:	C20 H17 N3 O4
SMILES:	C(=C1N=C(CN)N(CC(O)=O)C1=O)c3ccc(C(c2ccccc2)=O)cc3
InChi:	InChI=1S/C20H17N3O4/c21-11-17-22-16(20(27)23(17)12-18(24)25)10-13-6-8-15(9-7-13)19(26)14-4-2-1-3-5-14/h1-10H,11-12,21H2,(H,24,25)/b16-10-
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2018-12-20
Last modified:	2023-11-03
Release date:	2019-01-30
Identifier:	[(4Z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

BF9

BF9
Name:	[(4Z)-2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:	C22 H21 N3 O5
SMILES:	c1ccccc1C(c3ccc(C=C2C(N(C(C(C(O)C)N)=N2)CC(=O)O)=O)cc3)=O
InChi:	InChI=1S/C22H21N3O5/c1-13(26)19(23)21-24-17(22(30)25(21)12-18(27)28)11-14-7-9-16(10-8-14)20(29)15-5-3-2-4-6-15/h2-11,13,19,26H,12,23H2,1H3,(H,27,28)/b17-11-/t13-,19-/m0/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2018-12-19
Last modified:	2023-11-03
Release date:	2019-01-30
Identifier:	[(4Z)-2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

SLL

SLL
Name:	(2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid
Formula:	C10 H18 N2 O5
SMILES:	O=C(O)C(N)CCCCNC(=O)CCC(=O)O
InChi:	InChI=1S/C10H18N2O5/c11-7(10(16)17)3-1-2-6-12-8(13)4-5-9(14)15/h7H,1-6,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1
Synonyms:	6-N-succinyl-L-lysine
Definition date:	2010-03-04
Last modified:	2023-11-03
Identifier:	N~6~-(3-carboxypropanoyl)-L-lysine

BIF

BIF
Name:	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID
Formula:	C15 H15 N O2
SMILES:	O=C(O)C(N)Cc1ccc(cc1)c2ccccc2
InChi:	InChI=1S/C15H15NO2/c16-14(15(17)18)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10,16H2,(H,17,18)/t14-/m0/s1
Synonyms:	BIPHENYLALANINE
Definition date:	2005-03-29
Last modified:	2023-11-03
Identifier:	(2S)-2-amino-3-biphenyl-4-ylpropanoic acid (non-preferred name)

SMF

SMF
Name:	4-SULFOMETHYL-L-PHENYLALANINE
Formula:	C10 H13 N O5 S
SMILES:	O=S(=O)(O)Cc1ccc(cc1)CC(N)C(=O)O
InChi:	InChI=1S/C10H13NO5S/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)(H,14,15,16)/t9-/m0/s1
Definition date:	2003-03-18
Last modified:	2023-11-03
Identifier:	4-(sulfomethyl)-L-phenylalanine

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