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

Systemtic Name: (phenylmethyl) (2S)-2-(phenylmethoxycarbonylamino)-3-[1-(phenylmethyl)indol-3-yl]propanoate Openeye Name: benzyl (2S)-3-(1-benzylindol-3-yl)-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[1-(phenylmethyl)-3-indolyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(1-benzylindol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-(1-benzylindol-3-yl)-2-(benzyloxycarbonylamino)propionic acid benzyl ester Formula: C33H30N2O4 MolecularWeight: 518.6023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CC(C(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C[C@@H](C(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H30N2O4/c36-32(38-23-26-14-6-2-7-15-26)30(34-33(37)39-24-27-16-8-3-9-17-27)20-28-22-35(21-25-12-4-1-5-13-25)31-19-11-10-18-29(28)31/h1-19,22,30H,20-21,23-24H2,(H,34,37)/t30-/m0/s1