(phenylmethyl) (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]propanoate

Systemtic Name: (phenylmethyl) (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]propanoate Openeye Name: benzyl (2S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-(1H-indol-3-yl)propionic acid benzyl ester Formula: C30H32N2O4 MolecularWeight: 484.58608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C(CC2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H32N2O4/c1-30(2,3)36-29(34)32(20-22-12-6-4-7-13-22)27(28(33)35-21-23-14-8-5-9-15-23)18-24-19-31-26-17-11-10-16-25(24)26/h4-17,19,27,31H,18,20-21H2,1-3H3/t27-/m0/s1