(phenylmethyl) 2-[[3-cyclohexyl-3-oxidanyl-2-(2-phenylmethoxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (phenylmethyl) 2-[[3-cyclohexyl-3-oxidanyl-2-(2-phenylmethoxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: benzyl 2-[[2-(2-benzyloxyphenyl)-3-cyclohexyl-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[3-cyclohexyl-3-hydroxy-1-oxo-2-(2-phenylmethoxyphenyl)propyl]amino]-3-(1H-indol-3-yl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-cyclohexyl-3-hydroxy-2-(2-phenylmethoxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(2-benzoxyphenyl)-3-cyclohexyl-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propionic acid benzyl ester Formula: C40H42N2O5 MolecularWeight: 630.77188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)OCC6=CC=CC=C6)O

Isomeric SMILES

C1CCC(CC1)C(C(C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)OCC6=CC=CC=C6)O

InChI

InChI=1S/C40H42N2O5/c43-38(30-18-8-3-9-19-30)37(33-21-11-13-23-36(33)46-26-28-14-4-1-5-15-28)39(44)42-35(40(45)47-27-29-16-6-2-7-17-29)24-31-25-41-34-22-12-10-20-32(31)34/h1-2,4-7,10-17,20-23,25,30,35,37-38,41,43H,3,8-9,18-19,24,26-27H2,(H,42,44)