(phenylmethyl) (2S)-2-(phenylmethoxycarbonylamino)-3-[1-(4-phenylphenyl)indol-3-yl]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-(phenylmethoxycarbonylamino)-3-[1-(4-phenylphenyl)indol-3-yl]propanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-3-[1-(4-phenylphenyl)indol-3-yl]propanoate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[1-(4-phenylphenyl)-3-indolyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(phenylmethoxycarbonylamino)-3-[1-(4-phenylphenyl)indol-3-yl]propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[1-(4-phenylphenyl)indol-3-yl]propionic acid benzyl ester Formula: C38H32N2O4 MolecularWeight: 580.67168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CN(C3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CC2=CN(C3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C38H32N2O4/c41-37(43-26-28-12-4-1-5-13-28)35(39-38(42)44-27-29-14-6-2-7-15-29)24-32-25-40(36-19-11-10-18-34(32)36)33-22-20-31(21-23-33)30-16-8-3-9-17-30/h1-23,25,35H,24,26-27H2,(H,39,42)/t35-/m0/s1