(phenylmethyl) (2S)-2-[(4-methoxyphenyl)methylamino]-5-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(4-methoxyphenyl)methylamino]-5-(phenylmethoxycarbonylamino)pentanoate Openeye Name: benzyl (2S)-5-(benzyloxycarbonylamino)-2-[(4-methoxyphenyl)methylamino]pentanoate CAS Name: (2S)-2-[(4-methoxyphenyl)methylamino]-5-(phenylmethoxycarbonylamino)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(4-methoxyphenyl)methylamino]-5-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S)-5-(benzyloxycarbonylamino)-2-(p-anisylamino)valeric acid benzyl ester Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(CCCNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CN[C@@H](CCCNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H32N2O5/c1-33-25-16-14-22(15-17-25)19-30-26(27(31)34-20-23-9-4-2-5-10-23)13-8-18-29-28(32)35-21-24-11-6-3-7-12-24/h2-7,9-12,14-17,26,30H,8,13,18-21H2,1H3,(H,29,32)/t26-/m0/s1