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S7C

S7C
Name:	1-{[(3'S,4'R)-6-chloro-4'-ethyl-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
Formula:	C28 H27 Cl N4 O3 S
SMILES:	N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(C1)C(=O)N(CC2CC)c1cncc2ccccc21
InChi:	InChI=1S/C28H27ClN4O3S/c1-2-21-15-33(25-13-31-12-19-5-3-4-6-23(19)25)26(34)28(21)17-32(14-20-7-8-22(29)11-24(20)28)37(35,36)18-27(16-30)9-10-27/h3-8,11-13,21H,2,9-10,14-15,17-18H2,1H3/t21-,28-/m0/s1
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-{[(3'S,4'R)-6-chloro-4'-ethyl-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile

S7U

S7U
Name:	1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
Formula:	C27 H25 Cl N4 O3 S
SMILES:	N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCCN(C2=O)c2cncc3ccccc32)C1
InChi:	InChI=1S/C27H25ClN4O3S/c28-21-7-6-20-15-31(36(34,35)18-26(16-29)9-10-26)17-27(23(20)12-21)8-3-11-32(25(27)33)24-14-30-13-19-4-1-2-5-22(19)24/h1-2,4-7,12-14H,3,8-11,15,17-18H2/t27-/m1/s1
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile

BVK

BVK
Name:	2-[4-(aminomethyl)phenyl]ethanoic acid
Formula:	C9 H11 N O2
SMILES:	NCc1ccc(CC(O)=O)cc1
InChi:	InChI=1S/C9H11NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
Definition date:	2017-10-16
Last modified:	2023-11-03
Release date:	2018-02-28
Identifier:	2-[4-(aminomethyl)phenyl]ethanoic acid

CNT

CNT
Name:	N-METHYL-META-CHLORO-TYROSINE
Formula:	C10 H12 Cl N O3
SMILES:	Clc1cc(ccc1O)CC(C(=O)O)NC
InChi:	InChI=1S/C10H12ClNO3/c1-12-8(10(14)15)5-6-2-3-9(13)7(11)4-6/h2-4,8,12-13H,5H2,1H3,(H,14,15)/t8-/m0/s1
Synonyms:	N-METHYL-3-CHLORO-TYROSINE
Definition date:	2003-07-31
Last modified:	2023-11-03
Identifier:	3-chloro-N-methyl-L-tyrosine

COI

COI
Name:	2-OXO-4-METHYLPENTANOIC ACID
Formula:	C6 H10 O3
SMILES:	O=C(C(=O)O)CC(C)C
InChi:	InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
Synonyms:	alpha-ketoisocaproic acid
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	4-methyl-2-oxopentanoic acid

S9X

S9X
Name:	2-azanyl-2-butyl-hexanal
Formula:	C10 H21 N O2
SMILES:	CCCCC(N)(CCCC)C(O)=O
InChi:	InChI=1S/C10H21NO2/c1-3-5-7-10(11,9(12)13)8-6-4-2/h3-8,11H2,1-2H3,(H,12,13)
Definition date:	2022-12-15
Last modified:	2023-11-03
Release date:	2023-10-11
Identifier:	2-azanyl-2-butyl-hexanoic acid

CPC

CPC
Name:	2-METHYL-1-METHYLAMINO-CYCLOPROPANE CARBOXYLIC ACID
Formula:	C6 H11 N O2
SMILES:	O=C(O)C1(NC)CC1C
InChi:	InChI=1S/C6H11NO2/c1-4-3-6(4,7-2)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-,6-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(1S,2S)-2-methyl-1-(methylamino)cyclopropanecarboxylic acid

CPI

CPI
Name:	6-CARBOXYPIPERIDINE
Formula:	C6 H11 N O2
SMILES:	O=C(O)C1NCCCC1
InChi:	InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(2R)-piperidine-2-carboxylic acid

CPN

CPN
Name:	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-CYTOSINE
Formula:	C10 H16 N5 O4
SMILES:	O=C(N(CC(=O)O)CC[NH3+])CN1C=CC(=NC1=O)N
InChi:	InChI=1S/C10H15N5O4/c11-2-4-14(6-9(17)18)8(16)5-15-3-1-7(12)13-10(15)19/h1,3H,2,4-6,11H2,(H,17,18)(H2,12,13,19)/p+1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	2-{[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl](carboxymethyl)amino}ethanaminium

SAR

SAR
Name:	SARCOSINE
Formula:	C3 H7 N O2
SMILES:	O=C(O)CNC
InChi:	InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	N-methylglycine

CQ1

CQ1
Name:	[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-azidobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:	C15 H16 N6 O4
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)C(O)C)=Cc2ccc(/N=[N+]=[N-])cc2
InChi:	InChI=1S/C15H16N6O4/c1-8(22)13(16)14-18-11(15(25)21(14)7-12(23)24)6-9-2-4-10(5-3-9)19-20-17/h2-6,8,13,22H,7,16H2,1H3,(H,23,24)/b11-6-/t8-,13+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2013-02-21
Last modified:	2023-11-03
Release date:	2013-06-26
Identifier:	[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-azidobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

CQ2

CQ2
Name:	{(4Z)-4-(4-aminobenzylidene)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H18 N4 O4
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)C(O)C)=Cc2ccc(N)cc2
InChi:	InChI=1S/C15H18N4O4/c1-8(20)13(17)14-18-11(15(23)19(14)7-12(21)22)6-9-2-4-10(16)5-3-9/h2-6,8,13,20H,7,16-17H2,1H3,(H,21,22)/t8-,13+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2013-02-21
Last modified:	2023-11-03
Release date:	2013-06-26
Identifier:	{(4Z)-4-(4-aminobenzylidene)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

CR2

CR2
Name:	{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C13 H13 N3 O4
SMILES:	O=C1C(N=C(N1CC(=O)O)CN)=Cc2ccc(O)cc2
InChi:	InChI=1S/C13H13N3O4/c14-6-11-15-10(13(20)16(11)7-12(18)19)5-8-1-3-9(17)4-2-8/h1-5,17H,6-7,14H2,(H,18,19)/b10-5-
Synonyms:	CHROMOPHORE (GLY-TYR-GLY)
Definition date:	2003-01-03
Last modified:	2023-11-03
Identifier:	{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

CR5

CR5
Name:	(2R)-2-(AMINOMETHYL)-2,4-DIHYDROXY-5-OXO-3-(2-OXOETHYL)-2,5-DIHYDRO-1H-IMIDAZOL-3-IUM
Formula:	C6 H10 N3 O5
SMILES:	O=C1C(O)=[N+](CC(=O)O)C(O)(N1)CN
InChi:	InChI=1S/C6H9N3O5/c7-2-6(14)8-4(12)5(13)9(6)1-3(10)11/h14H,1-2,7H2,(H2,8,10,11,12)/p+1/t6-/m1/s1
Definition date:	2003-09-22
Last modified:	2023-11-03
Identifier:	(2R)-2-(aminomethyl)-3-(carboxymethyl)-2,4-dihydroxy-5-oxo-2,5-dihydro-1H-imidazol-3-ium

CR7

CR7
Name:	[(4Z)-2-[(1S)-1,5-DIAMINOPENTYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Formula:	C17 H22 N4 O4
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)CCCCN)=Cc2ccc(O)cc2
InChi:	InChI=1S/C17H22N4O4/c18-8-2-1-3-13(19)16-20-14(17(25)21(16)10-15(23)24)9-11-4-6-12(22)7-5-11/h4-7,9,13,22H,1-3,8,10,18-19H2,(H,23,24)/b14-9-/t13-/m0/s1
Synonyms:	CHROMOPHORE (LYS-TYR-GLY)
Definition date:	2005-07-01
Last modified:	2023-11-03
Identifier:	{(4Z)-2-[(1S)-1,5-diaminopentyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

CR8

CR8
Name:	2-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-5-OLATE
Formula:	C17 H16 N5 O4
SMILES:	O=C1C=C/C(C=C1)=Cc2nc(n(c2[O-])CC(=O)O)C(N)Cc3cncn3
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/h1-5,7,9,13,26H,6,8,18H2,(H,19,20)(H,24,25)/p-1/t13-/m0/s1
Synonyms:	CHROMOPHORE (HIS-TYR-GLY)
Definition date:	2005-06-14
Last modified:	2023-11-03
Identifier:	2-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1-(carboxymethyl)-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-imidazol-5-olate

CRF

CRF
Name:	[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:	C17 H18 N4 O4
SMILES:	C[CH](O)[CH](N)C1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O
InChi:	InChI=1S/C17H18N4O4/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/h2-7,9,15,19,22H,8,18H2,1H3,(H,23,24)/b13-6-/t9-,15+/m1/s1
Definition date:	2003-09-08
Last modified:	2023-11-03
Identifier:	2-[2-[(1R,2R)-1-azanyl-2-hydroxy-propyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid

CRG

CRG
Name:	[2-(1-AMINO-2-HYDROXY-PROPYL)-4-(3H-IMIDAZOL-4-YLMETHYLENE)-5-OXO-4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID
Formula:	C12 H15 N5 O4
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)C(O)C)=Cc2ncnc2
InChi:	InChI=1S/C12H15N5O4/c1-6(18)10(13)11-16-8(2-7-3-14-5-15-7)12(21)17(11)4-9(19)20/h2-3,5-6,10,18H,4,13H2,1H3,(H,14,15)(H,19,20)/b8-2-/t6-,10+/m1/s1
Definition date:	2002-02-20
Last modified:	2023-11-03
Identifier:	[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(1H-imidazol-4-ylmethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

SCH

SCH
Name:	S-METHYL-THIO-CYSTEINE
Formula:	C4 H9 N O2 S2
SMILES:	O=C(O)C(N)CSSC
InChi:	InChI=1S/C4H9NO2S2/c1-8-9-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-(methyldisulfanyl)-L-alanine

CRO

CRO
Name:	{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H17 N3 O5
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)C(O)C)=Cc2ccc(O)cc2
InChi:	InChI=1S/C15H17N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-6,8,13,19-20H,7,16H2,1H3,(H,21,22)/b11-6-/t8-,13+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

CRQ

CRQ
Name:	[2-(3-CARBAMOYL-1-IMINO-PROPYL)-4-(4-HYDROXY-BENZYLIDENE)-5-OXO-4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID
Formula:	C16 H16 N4 O5
SMILES:	O=C1C(N=C(C(=[N@H])CCC(=O)N)N1CC(=O)O)=Cc2ccc(O)cc2
InChi:	InChI=1S/C16H16N4O5/c17-11(5-6-13(18)22)15-19-12(16(25)20(15)8-14(23)24)7-9-1-3-10(21)4-2-9/h1-4,7,17,21H,5-6,8H2,(H2,18,22)(H,23,24)/b12-7-,17-11+
Synonyms:	CHROMOPHORE (GLN-TYR-GLY)
Definition date:	2000-10-19
Last modified:	2023-11-03
Identifier:	[(4Z)-2-[(1E)-4-amino-4-oxobutanimidoyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

CRU

CRU
Name:	4-[(4Z)-1-(CARBOXYMETHYL)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL]-4-IMINOBUTANOIC ACID
Formula:	C16 H15 N3 O6
SMILES:	O=C1C(N=C(C(=[N@H])CCC(=O)O)N1CC(=O)O)=C/c2ccc(O)cc2
InChi:	InChI=1S/C16H15N3O6/c17-11(5-6-13(21)22)15-18-12(16(25)19(15)8-14(23)24)7-9-1-3-10(20)4-2-9/h1-4,7,17,20H,5-6,8H2,(H,21,22)(H,23,24)/b12-7+,17-11-
Synonyms:	CHROMOPHORE (GLU-TYR-GLY)
Definition date:	2005-03-03
Last modified:	2023-11-03
Identifier:	(4Z)-4-[(4E)-1-(carboxymethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]-4-iminobutanoic acid

CRX

CRX
Name:	[2-(1-AMINOETHYL)-2-HYDROXY-4-METHYLENE-5-OXOIMIDAZOLIDIN-1-YL]ACETIC ACID
Formula:	C8 H13 N3 O4
SMILES:	O=C(O)CN1C(=O)/C(NC1(O)C(N)C)=C
InChi:	InChI=1S/C8H13N3O4/c1-4-7(14)11(3-6(12)13)8(15,10-4)5(2)9/h5,10,15H,1,3,9H2,2H3,(H,12,13)/t5-,8+/m0/s1
Synonyms:	CHROMOPHORE (ALA-SER-GLY)
Definition date:	2005-01-28
Last modified:	2023-11-03
Identifier:	{(2R)-2-[(1S)-1-aminoethyl]-2-hydroxy-4-methylidene-5-oxoimidazolidin-1-yl}acetic acid

SCS

SCS
Name:	3-(ethyldisulfanyl)-L-alanine
Formula:	C5 H11 N O2 S2
SMILES:	O=C(O)C(N)CSSCC
InChi:	InChI=1S/C5H11NO2S2/c1-2-9-10-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-(ethyldisulfanyl)-L-alanine

SCY

SCY
Name:	S-ACETYL-CYSTEINE
Formula:	C5 H9 N O3 S
SMILES:	O=C(O)C(N)CSC(=O)C
InChi:	InChI=1S/C5H9NO3S/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	S-acetyl-L-cysteine

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