2-ethoxycarbonyl-3-(1H-indol-3-yl)-4-[phenylmethoxycarbonyl-(phenylmethyl)amino]butanoic acid

Systemtic Name: 2-ethoxycarbonyl-3-(1H-indol-3-yl)-4-[phenylmethoxycarbonyl-(phenylmethyl)amino]butanoic acid Openeye Name: 4-[benzyl(benzyloxycarbonyl)amino]-2-ethoxycarbonyl-3-(1H-indol-3-yl)butanoic acid CAS Name: 2-ethoxycarbonyl-3-(1H-indol-3-yl)-4-[phenylmethoxycarbonyl-(phenylmethyl)amino]butanoic acid IUPAC Name: 4-[benzyl(phenylmethoxycarbonyl)amino]-2-ethoxycarbonyl-3-(1H-indol-3-yl)butanoic acid Traditional Name: 4-[benzyl(carbobenzoxy)amino]-2-carbethoxy-3-(1H-indol-3-yl)butyric acid Formula: C30H30N2O6 MolecularWeight: 514.569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CN(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)C3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CCOC(=O)C(C(CN(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)C3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C30H30N2O6/c1-2-37-29(35)27(28(33)34)25(24-17-31-26-16-10-9-15-23(24)26)19-32(18-21-11-5-3-6-12-21)30(36)38-20-22-13-7-4-8-14-22/h3-17,25,27,31H,2,18-20H2,1H3,(H,33,34)