4-methyl-2-[[3-phenyl-2-(2-sulfanylethanoylamino)propanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[3-phenyl-2-(2-sulfanylethanoylamino)propanoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[3-phenyl-2-[(2-sulfanylacetyl)amino]propanoyl]amino]pentanoic acid CAS Name: 2-[[2-[(2-mercapto-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: 4-methyl-2-[[3-phenyl-2-[(2-sulfanylacetyl)amino]propanoyl]amino]pentanoic acid Traditional Name: 2-[[2-[(2-mercaptoacetyl)amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-11(2)8-14(17(22)23)19-16(21)13(18-15(20)10-24)9-12-6-4-3-5-7-12/h3-7,11,13-14,24H,8-10H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)