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JJ9

JJ9
Name:	N-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide
Formula:	C15 H15 N3 O3 S
SMILES:	CC(=O)NCCNC(=O)c1ccc(cc1)c2scc(C=O)n2
InChi:	InChI=1S/C15H15N3O3S/c1-10(20)16-6-7-17-14(21)11-2-4-12(5-3-11)15-18-13(8-19)9-22-15/h2-5,8-9H,6-7H2,1H3,(H,16,20)(H,17,21)
Definition date:	2022-08-18
Last modified:	2023-11-10
Release date:	2023-11-15
Identifier:	~{N}-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide

E9V

E9V
Name:	N-methyl-L-histidine
Formula:	C7 H11 N3 O2
SMILES:	CNC(Cc1cnc[NH]1)C(=O)O
InChi:	InChI=1S/C7H11N3O2/c1-8-6(7(11)12)2-5-3-9-4-10-5/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
Definition date:	2017-12-14
Last modified:	2023-11-08
Release date:	2018-04-18
Identifier:	N-methyl-L-histidine

XY9

XY9
Name:	2,3,4-tri-O-sulfo-beta-D-xylopyranose
Formula:	C5 H10 O14 S3
SMILES:	OC1OCC(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O
InChi:	InChI=1S/C5H10O14S3/c6-5-4(19-22(13,14)15)3(18-21(10,11)12)2(1-16-5)17-20(7,8)9/h2-6H,1H2,(H,7,8,9)(H,10,11,12)(H,13,14,15)/t2-,3+,4-,5-/m1/s1
Definition date:	2022-08-09
Last modified:	2023-11-06
Release date:	2023-07-12
Identifier:	2,3,4-tri-O-sulfo-beta-D-xylopyranose

XQZ

XQZ
Name:	N-T-Butylhydroxylamine
Formula:	C4 H11 N O
SMILES:	CC(C)(C)NO
InChi:	InChI=1S/C4H11NO/c1-4(2,3)5-6/h5-6H,1-3H3
Synonyms:	N-hydroxy-2-methylpropan-2-amine
Definition date:	2022-12-05
Last modified:	2023-11-06
Release date:	2023-07-12
Identifier:	N-hydroxy-2-methylpropan-2-amine

RTS

RTS
Name:	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-2-[2-(methylamino)-2-oxoethyl]-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
Formula:	C22 H21 Cl N4 O4 S
SMILES:	CNC(=O)CN1CC(C)(c2cc(Cl)ccc2S1(=O)=O)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C22H21ClN4O4S/c1-22(21(29)26-18-11-25-10-14-5-3-4-6-16(14)18)13-27(12-20(28)24-2)32(30,31)19-8-7-15(23)9-17(19)22/h3-11H,12-13H2,1-2H3,(H,24,28)(H,26,29)/t22-/m1/s1
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-2-[2-(methylamino)-2-oxoethyl]-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide

XCP

XCP
Name:	(1S,2S)-2-aminocyclopentanecarboxylic acid
Formula:	C6 H11 N O2
SMILES:	O=C(O)C1CCCC1N
InChi:	InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1
Definition date:	2008-02-05
Last modified:	2023-11-03
Identifier:	(1S,2S)-2-aminocyclopentanecarboxylic acid

O65

O65
Name:	3,5-bis(hydroxymethyl)-4-methyl-benzaldehyde
Formula:	C10 H12 O4
SMILES:	Cc1c(CO)cc(cc1CO)C(O)=O
InChi:	InChI=1S/C10H12O4/c1-6-8(4-11)2-7(10(13)14)3-9(6)5-12/h2-3,11-12H,4-5H2,1H3,(H,13,14)
Definition date:	2020-02-10
Last modified:	2023-11-03
Release date:	2021-02-17
Identifier:	3,5-bis(hydroxymethyl)-4-methyl-benzoic acid

THO

THO
Name:	REDUCED THREONINE
Formula:	C4 H11 N O2
SMILES:	OCC(N)C(O)C
InChi:	InChI=1S/C4H11NO2/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(2R,3R)-2-aminobutane-1,3-diol

UB4

UB4
Name:	(2S)-2-amino-4-(1,3-benzothiazol-2-yl)butanoic acid
Formula:	C11 H12 N2 O2 S
SMILES:	C(O)(C(CCc2nc1ccccc1s2)N)=O
InChi:	InChI=1S/C11H12N2O2S/c12-7(11(14)15)5-6-10-13-8-3-1-2-4-9(8)16-10/h1-4,7H,5-6,12H2,(H,14,15)/t7-/m0/s1
Definition date:	2020-05-06
Last modified:	2023-11-03
Release date:	2020-05-20
Identifier:	(2S)-2-amino-4-(1,3-benzothiazol-2-yl)butanoic acid

NR0

NR0
Name:	N-[(3R,4R)-4-aminooxolan-3-yl]-2-(6-amino-9H-purin-9-yl)-N-(2-oxoethyl)acetamide
Formula:	C13 H17 N7 O4
SMILES:	OC(=O)CN(C1COCC1N)C(=O)Cn1cnc2c(N)ncnc21
InChi:	InChI=1S/C13H17N7O4/c14-7-3-24-4-8(7)20(2-10(22)23)9(21)1-19-6-18-11-12(15)16-5-17-13(11)19/h5-8H,1-4,14H2,(H,22,23)(H2,15,16,17)/t7-,8-/m0/s1
Definition date:	2022-04-07
Last modified:	2023-11-03
Release date:	2023-04-05
Identifier:	N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine

RTY

RTY
Name:	4-{4-[(2S,3R)-2-amino-4-bromo-3-hydroxybutyl]phenoxy}butanoic acid
Formula:	C14 H20 Br N O4
SMILES:	BrCC(O)C(N)Cc1ccc(OCCCC(=O)O)cc1
InChi:	InChI=1S/C14H20BrNO4/c15-9-13(17)12(16)8-10-3-5-11(6-4-10)20-7-1-2-14(18)19/h3-6,12-13,17H,1-2,7-9,16H2,(H,18,19)/t12-,13-/m0/s1
Definition date:	2009-07-01
Last modified:	2023-11-03
Identifier:	4-{4-[(2S,3R)-2-amino-4-bromo-3-hydroxybutyl]phenoxy}butanoic acid

THR

THR
Name:	THREONINE
Formula:	C4 H9 N O3
SMILES:	O=C(O)C(N)C(O)C
InChi:	InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	L-threonine

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

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

WYK

WYK
Name:	(2S,4S)-4-hydroxy-L-arginine
Formula:	C6 H14 N4 O3
SMILES:	N[CH](C[CH](O)CNC(N)=N)C(O)=O
InChi:	InChI=1S/C6H14N4O3/c7-4(5(12)13)1-3(11)2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1
Synonyms:	(2S,4S)-2-azanyl-5-carbamimidamido-4-oxidanyl-pentanoic acid
Definition date:	2023-05-23
Last modified:	2023-11-03
Release date:	2023-08-09
Identifier:	(2~{S},4~{S})-2-azanyl-5-carbamimidamido-4-oxidanyl-pentanoic acid

ZGL

ZGL
Name:	D-alpha-glutamine
Formula:	C5 H10 N2 O3
SMILES:	O=C(N)C(N)CCC(=O)O
InChi:	InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m1/s1
Synonyms:	Iso-D-glutamine
Definition date:	2011-10-27
Last modified:	2023-11-03
Identifier:	D-alpha-glutamine

NRC

NRC
Name:	methyl (2R)-2-(3-chlorophenyl)-3-[(4-methylpyridin-3-yl)amino]-3-oxopropanoate
Formula:	C16 H15 Cl N2 O3
SMILES:	O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)C(=O)OC
InChi:	InChI=1S/C16H15ClN2O3/c1-10-6-7-18-9-13(10)19-15(20)14(16(21)22-2)11-4-3-5-12(17)8-11/h3-9,14H,1-2H3,(H,19,20)/t14-/m1/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	methyl (2R)-2-(3-chlorophenyl)-3-[(4-methylpyridin-3-yl)amino]-3-oxopropanoate

NCY

NCY
Name:	N-METHYLCYSTEINE
Formula:	C4 H9 N O2 S
SMILES:	O=C(O)C(NC)CS
InChi:	InChI=1S/C4H9NO2S/c1-5-3(2-8)4(6)7/h3,5,8H,2H2,1H3,(H,6,7)/t3-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	N-methyl-L-cysteine

YCM

YCM
Name:	S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE
Formula:	C5 H10 N2 O3 S
SMILES:	O=C(O)C(N)CSCC(=O)N
InChi:	InChI=1S/C5H10N2O3S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
Synonyms:	CYSTEINE-S-ACETAMIDE
Definition date:	2002-02-18
Last modified:	2023-11-03
Identifier:	S-(2-amino-2-oxoethyl)-L-cysteine

XDD

XDD
Name:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine
Formula:	C14 H19 N7 O3
SMILES:	C(n1cnc2c1ncnc2N)C(=O)N(CC(O)=O)C3CCCC3N
InChi:	InChI=1S/C14H19N7O3/c15-8-2-1-3-9(8)21(5-11(23)24)10(22)4-20-7-19-12-13(16)17-6-18-14(12)20/h6-9H,1-5,15H2,(H,23,24)(H2,16,17,18)/t8-,9-/m0/s1
Definition date:	2020-12-11
Last modified:	2023-11-03
Release date:	2020-12-23
Identifier:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine

NRG

NRG
Name:	N-OMEGA-NITRO-L-ARGININE
Formula:	C6 H13 N5 O4
SMILES:	[O-][N+](=O)NC(=[N@H])NCCCC(C(=O)O)N
InChi:	InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
Synonyms:	NNA
Definition date:	1999-07-28
Last modified:	2023-11-03
Identifier:	N~5~-(N-nitrocarbamimidoyl)-L-ornithine

YCP

YCP
Name:	(2S)-piperidine-2-carboxylic acid
Formula:	C6 H11 N O2
SMILES:	OC(=O)[CH]1CCCCN1
InChi:	InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
Definition date:	2010-01-07
Last modified:	2023-11-03
Identifier:	(2S)-piperidine-2-carboxylic acid

P0X

P0X
Name:	4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one
Formula:	C20 H16 Cl N3 O3
SMILES:	O=C(C1=CC(=O)Nc2ccccc21)N1CC(=O)N(CC1)c1cccc(Cl)c1
InChi:	InChI=1S/C20H16ClN3O3/c21-13-4-3-5-14(10-13)24-9-8-23(12-19(24)26)20(27)16-11-18(25)22-17-7-2-1-6-15(16)17/h1-7,10-11H,8-9,12H2,(H,22,25)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one

XDJ

XDJ
Name:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine
Formula:	C14 H19 N7 O4
SMILES:	C(O)(CN(C1C(N)CCC1)C(Cn2cnc3c2N=C(N)NC3=O)=O)=O
InChi:	InChI=1S/C14H19N7O4/c15-7-2-1-3-8(7)21(5-10(23)24)9(22)4-20-6-17-11-12(20)18-14(16)19-13(11)25/h6-8H,1-5,15H2,(H,23,24)(H3,16,18,19,25)/t7-,8-/m0/s1
Definition date:	2020-12-11
Last modified:	2023-11-03
Release date:	2020-12-23
Identifier:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine

T3R

T3R
Name:	N,5-dimethyl-L-norleucine
Formula:	C8 H17 N O2
SMILES:	CNC(CCC(C)C)C(=O)O
InChi:	InChI=1S/C8H17NO2/c1-6(2)4-5-7(9-3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t7-/m0/s1
Definition date:	2022-07-15
Last modified:	2023-11-03
Release date:	2023-05-24
Identifier:	N,5-dimethyl-L-norleucine

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