3-methyl-2-[[2-(methylamino)-3-phenyl-propanoyl]amino]-3-sulfanyl-butanoic acid

Systemtic Name: 3-methyl-2-[[2-(methylamino)-3-phenyl-propanoyl]amino]-3-sulfanyl-butanoic acid Openeye Name: 3-methyl-2-[[2-(methylamino)-3-phenyl-propanoyl]amino]-3-sulfanyl-butanoic acid CAS Name: 3-mercapto-3-methyl-2-[[2-(methylamino)-1-oxo-3-phenylpropyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(methylamino)-3-phenylpropanoyl]amino]-3-sulfanylbutanoic acid Traditional Name: 3-mercapto-3-methyl-2-[[2-(methylamino)-3-phenyl-propanoyl]amino]butyric acid Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC)S

Isomeric SMILES

CC(C)(C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC)S

InChI

InChI=1S/C15H22N2O3S/c1-15(2,21)12(14(19)20)17-13(18)11(16-3)9-10-7-5-4-6-8-10/h4-8,11-12,16,21H,9H2,1-3H3,(H,17,18)(H,19,20)