S-[[[2-(4-methylpentanoylamino)-3-phenyl-propanoyl]amino]methyl] ethanethioate

Systemtic Name: S-[[[2-(4-methylpentanoylamino)-3-phenyl-propanoyl]amino]methyl] ethanethioate Openeye Name: S-[[[2-(4-methylpentanoylamino)-3-phenyl-propanoyl]amino]methyl] ethanethioate CAS Name: ethanethioic acid S-[[[2-[(4-methyl-1-oxopentyl)amino]-1-oxo-3-phenylpropyl]amino]methyl] ester IUPAC Name: S-[[[2-(4-methylpentanoylamino)-3-phenylpropanoyl]amino]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[[2-(4-methylpentanoylamino)-3-phenyl-propanoyl]amino]methyl] ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NC(CC1=CC=CC=C1)C(=O)NCSC(=O)C

Isomeric SMILES

CC(C)CCC(=O)NC(CC1=CC=CC=C1)C(=O)NCSC(=O)C

InChI

InChI=1S/C18H26N2O3S/c1-13(2)9-10-17(22)20-16(11-15-7-5-4-6-8-15)18(23)19-12-24-14(3)21/h4-8,13,16H,9-12H2,1-3H3,(H,19,23)(H,20,22)