(phenylmethyl) 2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) 2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methyl-butanoate Openeye Name: benzyl 2-[[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoate CAS Name: 2-[[3-(1H-indol-3-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butyric acid benzyl ester Formula: C31H33N3O5 MolecularWeight: 527.61082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H33N3O5/c1-21(2)28(30(36)38-19-22-11-5-3-6-12-22)34-29(35)27(17-24-18-32-26-16-10-9-15-25(24)26)33-31(37)39-20-23-13-7-4-8-14-23/h3-16,18,21,27-28,32H,17,19-20H2,1-2H3,(H,33,37)(H,34,35)