(1-oxidanyl-3-phenyl-propan-2-yl) 2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: (1-oxidanyl-3-phenyl-propan-2-yl) 2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: (1-benzyl-2-hydroxy-ethyl) 2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoic acid (1-hydroxy-3-phenylpropan-2-yl) ester IUPAC Name: (1-hydroxy-3-phenylpropan-2-yl) 2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: 2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid (1-benzyl-2-hydroxy-ethyl) ester Formula: C31H36N2O5 MolecularWeight: 516.62794

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3OC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)OC(CC6=CC=CC=C6)CO

Isomeric SMILES

C1C2CC3CC1CC(C2)C3OC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)OC(CC6=CC=CC=C6)CO

InChI

InChI=1S/C31H36N2O5/c34-18-25(15-19-6-2-1-3-7-19)37-30(35)28(16-24-17-32-27-9-5-4-8-26(24)27)33-31(36)38-29-22-11-20-10-21(13-22)14-23(29)12-20/h1-9,17,20-23,25,28-29,32,34H,10-16,18H2,(H,33,36)