(phenylmethyl) 2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]-4-sulfanyl-butanoate

Systemtic Name: (phenylmethyl) 2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]-4-sulfanyl-butanoate Openeye Name: benzyl 2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]-4-sulfanyl-butanoate CAS Name: 4-mercapto-2-[[(2S)-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]-3-phenylpropyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]-4-sulfanylbutanoate Traditional Name: 2-[[(2S)-2-(hydrocinnamoylamino)-3-phenyl-propanoyl]amino]-4-mercapto-butyric acid benzyl ester Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCS)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC(CCS)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H32N2O4S/c32-27(17-16-22-10-4-1-5-11-22)30-26(20-23-12-6-2-7-13-23)28(33)31-25(18-19-36)29(34)35-21-24-14-8-3-9-15-24/h1-15,25-26,36H,16-21H2,(H,30,32)(H,31,33)/t25?,26-/m0/s1