2-[(2-azanyl-4-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoic acid; ethanoic acid

Systemtic Name: 2-[(2-azanyl-4-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoic acid; ethanoic acid Openeye Name: acetic acid; 2-[(2-amino-4-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: acetic acid; 2-[(2-amino-4-methyl-1-oxopentyl)amino]-4-(methylthio)butanoic acid IUPAC Name: acetic acid; 2-[(2-amino-4-methylpentanoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: acetic acid; 2-[(2-amino-4-methyl-pentanoyl)amino]-4-(methylthio)butyric acid Formula: C13H26N2O5S MolecularWeight: 322.42094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C(=O)O)N.CC(=O)O

Isomeric SMILES

CC(C)CC(C(=O)NC(CCSC)C(=O)O)N.CC(=O)O

InChI

InChI=1S/C11H22N2O3S.C2H4O2/c1-7(2)6-8(12)10(14)13-9(11(15)16)4-5-17-3;1-2(3)4/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16);1H3,(H,3,4)