AG00353Y

1113-41-3 | 3-Mercapto-L-valine

AG00353Y

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CAS Number	1113-41-3
Catalog Number	AG00353Y(AGN-PC-0NXMXC)
Chemical Name	3-Mercapto-L-valine
IUPAC Name	(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid
InChI	InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1
InChI Key	VVNCNSJFMMFHPL-GSVOUGTGSA-N
MDL Number	MFCD00064303
Molecular Formula	C5H11NO2S
Molecular Weight	149.2113
NSC Number	757265
SMILES	SC([C@H](N)C(=O)O)(C)C
UNII	NO1YIB7OIG
Synonyms	beta,beta Dimethylcysteine, beta,beta-Dimethylcysteine, Copper Penicillaminate, Cuprenil, Cuprimine, D 3 Mercaptovaline, D Penicillamine, D-3-Mercaptovaline, D-Penicillamine, Dimethylcysteine, Mercaptovaline, Metalcaptase, Penicillaminate, Copper, Penicillamine, L-Penicillamine, 1113-41-3, 3-Mercapto-L-valine, Penicillamine L-form, H-Pen-OH, L-(+)-beta-Mercaptovaline, 3,3-Dimethyl-L-cysteine, 3-sulfanyl-L-valine, (2R)-2-amino-3-methyl-3-sulfanylbutanoic acid, UNII-NO1YIB7OIG, L-Pen, penicillamine, Valine, 3-mercapto-, L-, (R)-2-Amino-3-mercapto-3-methylbutanoic acid, CCRIS 2902, CHEBI:50869, L-(+)-Penicillamine, NO1YIB7OIG, EINECS 214-203-9, MFCD00064303, NSC 241261, BRN 1722374, CHEMBL207222, L-Valine, 3-mercapto-, H-,-Dimethyl-Cys-OH;H--Mercapto-Val-OH, L(+)-Penicillamine, 98%, 4-04-00-03228 (Beilstein Handbook Reference), NSC-241261, 3-mercapto valine, L-beta-Mercaptovaline, penicillamine disulphide, L-LE1ICILLAMINE, L-Penicillamine, 99%, AC1L3OZS, AC1Q1NPB, Epitope ID:116225, SCHEMBL4344, NCIStruc1_001782, NCIStruc2_000062, L-beta,beta-Dimethylcysteine, CTK0H7688, L-Valine, 3-mercapto- (9CI), VVNCNSJFMMFHPL-GSVOUGTGSA-N, Pharmakon1600-01500464, ZINC114124, KS-000015IH, 7338AH, ANW-16271, BDBM50311534, CCG-36579, NCGC00014602, NCI241261, NSC757265, SBB000102, AKOS015854040, NSC-757265, NCGC00014602-02, NCGC00014602-03, NCGC00014602-04, NCGC00094751-01, NCGC00094751-02, NCGC00094751-03, AJ-11467, AS-49399, PEN, ST025231, DB-040965, LS-161323, TR-002249, FT-0627604, P1370, K-0924, P-1300, P-1310, (2R)-2-amino-3-mercapto-3-methyl-butyric acid, (2R)-2-amino-3-mercapto-3-methylbutanoic acid, (2R)-2-amino-3-methyl-3-sulfanyl-butanoic acid, (2R)-2-azanyl-3-methyl-3-sulfanyl-butanoic acid, 113P413, UNII-2XOP7Y1H98 component VVNCNSJFMMFHPL-GSVOUGTGSA-N, L-(+)-2-Amino-3-mercapto-3-methylbutanoic acid beta,beta-Dimethyl-L-cysteine, Atheroline, D-Penicillamine, Penicillamine, (+)-, C5H11NO2S, Valine, 3-mercapto-, DL-, x-PEN-1:4, C5-H11-N-O2-S, CID92863, ACN-043431, L-( )-Penicillamine, 98% - 1G 1g, (2S)-2-Amino-3-methyl-3-sulfanylbutanoic acid, 52-67-5, 20902-45-8,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	149.051g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	149.208g/mol
Monoisotopic Mass	149.051g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	64.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number