(2S)-3-phenyl-2-(3-phenylpropanoylamino)-N-(3-sulfanylpropyl)propanamide

Systemtic Name: (2S)-3-phenyl-2-(3-phenylpropanoylamino)-N-(3-sulfanylpropyl)propanamide Openeye Name: (2S)-3-phenyl-2-(3-phenylpropanoylamino)-N-(3-sulfanylpropyl)propanamide CAS Name: (2S)-N-(3-mercaptopropyl)-2-[(1-oxo-3-phenylpropyl)amino]-3-phenylpropanamide IUPAC Name: (2S)-3-phenyl-2-(3-phenylpropanoylamino)-N-(3-sulfanylpropyl)propanamide Traditional Name: (2S)-2-(hydrocinnamoylamino)-N-(3-mercaptopropyl)-3-phenyl-propionamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CC2=CC=CC=C2)C(=O)NCCCS

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCCS

InChI

InChI=1S/C21H26N2O2S/c24-20(13-12-17-8-3-1-4-9-17)23-19(21(25)22-14-7-15-26)16-18-10-5-2-6-11-18/h1-6,8-11,19,26H,7,12-16H2,(H,22,25)(H,23,24)/t19-/m0/s1