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33X

33X
Name:	N-methyl-D-alanine
Formula:	C4 H9 N O2
SMILES:	O=C(O)C(NC)C
InChi:	InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m1/s1
Definition date:	2014-06-16
Last modified:	2023-11-03
Release date:	2014-11-12
Identifier:	N-methyl-D-alanine

34H

34H
Name:	(2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID
Formula:	C9 H10 O4
SMILES:	O=C(O)C(O)Cc1ccc(O)cc1
InChi:	InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m1/s1
Definition date:	2010-07-21
Last modified:	2023-11-03
Identifier:	(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid

RG9

RG9
Name:	2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide
Formula:	C20 H19 Cl N2 O2
SMILES:	Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)C(C)(C)O
InChi:	InChI=1S/C20H19ClN2O2/c1-20(2,25)15-6-7-17-14(10-15)11-22-12-18(17)23-19(24)9-13-4-3-5-16(21)8-13/h3-8,10-12,25H,9H2,1-2H3,(H,23,24)
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide

3A5

3A5
Name:	(2Z,4S)-3-AZA-5-CARBOXYL-2-METHYL-4(METHYLCARBOXY)PENT-2-ENOYL
Formula:	C8 H11 N O6
SMILES:	O=C(OC)C(/N=C(/C(=O)O)C)CC(=O)O
InChi:	InChI=1S/C8H11NO6/c1-4(7(12)13)9-5(3-6(10)11)8(14)15-2/h5H,3H2,1-2H3,(H,10,11)(H,12,13)/b9-4+/t5-/m0/s1
Definition date:	2012-03-28
Last modified:	2023-11-03
Release date:	2012-10-26
Identifier:	(3S)-3-[(E)-(1-carboxyethylidene)amino]-4-methoxy-4-oxobutanoic acid (non-preferred name)

3CF

3CF
Name:	3-cyano-L-phenylalanine
Formula:	C10 H10 N2 O2
SMILES:	O=C(O)C(N)Cc1cccc(C#N)c1
InChi:	InChI=1S/C10H10N2O2/c11-6-8-3-1-2-7(4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1
Definition date:	2010-09-07
Last modified:	2023-11-03
Identifier:	3-cyano-L-phenylalanine

3CT

3CT
Name:	3-chloro-L-tyrosine
Formula:	C9 H10 Cl N O3
SMILES:	Clc1cc(ccc1O)CC(C(=O)O)N
InChi:	InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
Definition date:	2013-12-18
Last modified:	2023-11-03
Release date:	2015-08-19
Identifier:	3-chloro-L-tyrosine

RRU

RRU
Name:	1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
Formula:	C26 H23 Cl N4 O3 S
SMILES:	N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCN(C2=O)c2cncc3ccccc32)C1
InChi:	InChI=1S/C26H23ClN4O3S/c27-20-6-5-19-14-30(35(33,34)17-25(15-28)7-8-25)16-26(22(19)11-20)9-10-31(24(26)32)23-13-29-12-18-3-1-2-4-21(18)23/h1-6,11-13H,7-10,14,16-17H2/t26-/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'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile

RS6

RS6
Name:	(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:	C24 H22 Cl F N4 O3
SMILES:	Fc1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC(C)C)C(=O)c2ccc(Cl)cc21
InChi:	InChI=1S/C24H22ClFN4O3/c1-13(2)28-22(31)12-30-11-20(19-8-15(25)3-5-18(19)24(30)33)23(32)29-21-10-27-9-14-7-16(26)4-6-17(14)21/h3-10,13,20H,11-12H2,1-2H3,(H,28,31)(H,29,32)/t20-/m1/s1
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

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)

RVJ

RVJ
Name:	3-triazan-1-yl-L-alanine
Formula:	C3 H10 N4 O2
SMILES:	NC(CNNN)C(=O)O
InChi:	InChI=1S/C3H10N4O2/c4-2(3(8)9)1-6-7-5/h2,6-7H,1,4-5H2,(H,8,9)/t2-/m0/s1
Definition date:	2020-02-26
Last modified:	2023-11-03
Release date:	2020-07-01
Identifier:	3-triazan-1-yl-L-alanine

RYB

RYB
Name:	1-{[(3'S)-6-chloro-1'-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
Formula:	C30 H32 Cl N5 O4 S
SMILES:	CN(C)CCOc1cc2c(cc1)cncc2N1CCC2(CN(Cc3ccc(Cl)cc32)S(=O)(=O)CC2(C#N)CC2)C1=O
InChi:	InChI=1S/C30H32ClN5O4S/c1-34(2)11-12-40-24-6-4-21-15-33-16-27(25(21)14-24)36-10-9-30(28(36)37)19-35(17-22-3-5-23(31)13-26(22)30)41(38,39)20-29(18-32)7-8-29/h3-6,13-16H,7-12,17,19-20H2,1-2H3/t30-/m1/s1
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-{[(3'S)-6-chloro-1'-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile

RZ4

RZ4
Name:	O-tert-butyl-L-serine
Formula:	C7 H15 N O3
SMILES:	O=C(O)C(N)COC(C)(C)C
InChi:	InChI=1S/C7H15NO3/c1-7(2,3)11-4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
Definition date:	2011-09-23
Last modified:	2023-11-03
Identifier:	O-tert-butyl-L-serine

RZU

RZU
Name:	1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide
Formula:	C26 H23 Cl N4 O3
SMILES:	CNC(=O)C1(CC1)N1CC2(CCN(C2=O)c2cncc3ccccc32)c2cc(Cl)ccc2C1=O
InChi:	InChI=1S/C26H23ClN4O3/c1-28-23(33)26(8-9-26)31-15-25(20-12-17(27)6-7-19(20)22(31)32)10-11-30(24(25)34)21-14-29-13-16-4-2-3-5-18(16)21/h2-7,12-14H,8-11,15H2,1H3,(H,28,33)/t25-/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)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide

BP5

BP5
Name:	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE
Formula:	C13 H13 N3 O2
SMILES:	O=C(O)C(N)Cc2cnc(c1ncccc1)cc2
InChi:	InChI=1S/C13H13N3O2/c14-10(13(17)18)7-9-4-5-12(16-8-9)11-3-1-2-6-15-11/h1-6,8,10H,7,14H2,(H,17,18)/t10-/m0/s1
Definition date:	2007-05-23
Last modified:	2023-11-03
Identifier:	3-(2,2'-bipyridin-5-yl)-L-alanine

BSE

BSE
Name:	BETA-3-SERINE
Formula:	C4 H9 N O3
SMILES:	O=C(O)C(CN)CO
InChi:	InChI=1S/C4H9NO3/c5-1-3(2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
Definition date:	2001-06-01
Last modified:	2023-11-03
Identifier:	(2S)-3-amino-2-(hydroxymethyl)propanoic acid

BTR

BTR
Name:	6-BROMO-TRYPTOPHAN
Formula:	C11 H11 Br N2 O2
SMILES:	O=C(O)C(N)Cc2c1ccc(Br)cc1nc2
InChi:	InChI=1S/C11H11BrN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	6-bromo-L-tryptophan

S6K

S6K
Name:	1-{[(3'S,4'R)-6-chloro-1'-(isoquinolin-4-yl)-4'-methyl-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
Formula:	C27 H25 Cl N4 O3 S
SMILES:	N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(C1)C(=O)N(CC2C)c1cncc2ccccc21
InChi:	InChI=1S/C27H25ClN4O3S/c1-18-13-32(24-12-30-11-19-4-2-3-5-22(19)24)25(33)27(18)16-31(14-20-6-7-21(28)10-23(20)27)36(34,35)17-26(15-29)8-9-26/h2-7,10-12,18H,8-9,13-14,16-17H2,1H3/t18-,27-/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-1'-(isoquinolin-4-yl)-4'-methyl-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile

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

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

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

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

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

CSD

CSD
Name:	3-SULFINOALANINE
Formula:	C3 H7 N O4 S
SMILES:	O=C(O)C(N)CS(=O)O
InChi:	InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1
Synonyms:	S-CYSTEINESULFINIC ACID
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-sulfino-L-alanine

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