2-[[(2S)-2-(2-methylpropanoylamino)-3-phenyl-propanoyl]amino]-4-sulfanyl-butanoic acid

Systemtic Name: 2-[[(2S)-2-(2-methylpropanoylamino)-3-phenyl-propanoyl]amino]-4-sulfanyl-butanoic acid Openeye Name: 2-[[(2S)-2-(2-methylpropanoylamino)-3-phenyl-propanoyl]amino]-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-[[(2S)-2-[(2-methyl-1-oxopropyl)amino]-1-oxo-3-phenylpropyl]amino]butanoic acid IUPAC Name: 2-[[(2S)-2-(2-methylpropanoylamino)-3-phenylpropanoyl]amino]-4-sulfanylbutanoic acid Traditional Name: 2-[[(2S)-2-(isobutyrylamino)-3-phenyl-propanoyl]amino]-4-mercapto-butyric acid Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(CCS)C(=O)O

InChI

InChI=1S/C17H24N2O4S/c1-11(2)15(20)19-14(10-12-6-4-3-5-7-12)16(21)18-13(8-9-24)17(22)23/h3-7,11,13-14,24H,8-10H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)/t13?,14-/m0/s1