(phenylmethyl) (2S)-3-(1,2-dimethylindol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) (2S)-3-(1,2-dimethylindol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-3-(1,2-dimethylindol-3-yl)propanoate CAS Name: (2S)-3-(1,2-dimethyl-3-indolyl)-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(1,2-dimethylindol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(1,2-dimethylindol-3-yl)propionic acid benzyl ester Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)CC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)C[C@@H](C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O4/c1-20-24(23-15-9-10-16-26(23)30(20)2)17-25(27(31)33-18-21-11-5-3-6-12-21)29-28(32)34-19-22-13-7-4-8-14-22/h3-16,25H,17-19H2,1-2H3,(H,29,32)/t25-/m0/s1