(2S)-3-methyl-N-phenethyl-2-(3-sulfanylpropanoylamino)pentanamide

Systemtic Name: (2S)-3-methyl-N-phenethyl-2-(3-sulfanylpropanoylamino)pentanamide Openeye Name: (2S)-3-methyl-N-phenethyl-2-(3-sulfanylpropanoylamino)pentanamide CAS Name: (2S)-2-[(3-mercapto-1-oxopropyl)amino]-3-methyl-N-phenethylpentanamide IUPAC Name: (2S)-3-methyl-N-phenethyl-2-(3-sulfanylpropanoylamino)pentanamide Traditional Name: (2S)-2-(3-mercaptopropanoylamino)-3-methyl-N-phenethyl-valeramide Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCC1=CC=CC=C1)NC(=O)CCS

Isomeric SMILES

CCC(C)[C@@H](C(=O)NCCC1=CC=CC=C1)NC(=O)CCS

InChI

InChI=1S/C17H26N2O2S/c1-3-13(2)16(19-15(20)10-12-22)17(21)18-11-9-14-7-5-4-6-8-14/h4-8,13,16,22H,3,9-12H2,1-2H3,(H,18,21)(H,19,20)/t13?,16-/m0/s1