(phenylmethyl) (2S)-3-methyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate

Systemtic Name: (phenylmethyl) (2S)-3-methyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate Openeye Name: benzyl (2S)-2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methyl-pentanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-methyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methyl-valeric acid benzyl ester Formula: C30H34N2O5 MolecularWeight: 502.60136

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C)[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H34N2O5/c1-3-22(2)27(29(34)36-20-24-15-9-5-10-16-24)32-28(33)26(19-23-13-7-4-8-14-23)31-30(35)37-21-25-17-11-6-12-18-25/h4-18,22,26-27H,3,19-21H2,1-2H3,(H,31,35)(H,32,33)/t22?,26?,27-/m0/s1