(phenylmethyl) 2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoate Openeye Name: benzyl 2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)N

InChI

InChI=1S/C27H27N3O3/c28-23(16-21-17-29-24-14-8-7-13-22(21)24)26(31)30-25(15-19-9-3-1-4-10-19)27(32)33-18-20-11-5-2-6-12-20/h1-14,17,23,25,29H,15-16,18,28H2,(H,30,31)