2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-butyric acid Formula: C13H25N3O4S MolecularWeight: 319.4203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CS)N

Isomeric SMILES

CC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CS)N

InChI

InChI=1S/C13H25N3O4S/c1-6(2)9(15-11(17)8(14)5-21)12(18)16-10(7(3)4)13(19)20/h6-10,21H,5,14H2,1-4H3,(H,15,17)(H,16,18)(H,19,20)