methyl 1-[[(2S)-4-oxidanylidene-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]cyclooctane-1-carboxylate

Systemtic Name: methyl 1-[[(2S)-4-oxidanylidene-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]cyclooctane-1-carboxylate Openeye Name: methyl 1-[[(2S)-4-benzyloxy-2-(benzyloxycarbonylamino)-4-oxo-butanoyl]amino]cyclooctanecarboxylate CAS Name: 1-[[(2S)-1,4-dioxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butyl]amino]-1-cyclooctanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[(2S)-4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]cyclooctane-1-carboxylate Traditional Name: 1-[[(2S)-4-benzoxy-2-(benzyloxycarbonylamino)-4-keto-butanoyl]amino]cyclooctanecarboxylic acid methyl ester Formula: C29H36N2O7 MolecularWeight: 524.60534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCCC1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCCCCCC1)NC(=O)[C@H](CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H36N2O7/c1-36-27(34)29(17-11-3-2-4-12-18-29)31-26(33)24(19-25(32)37-20-22-13-7-5-8-14-22)30-28(35)38-21-23-15-9-6-10-16-23/h5-10,13-16,24H,2-4,11-12,17-21H2,1H3,(H,30,35)(H,31,33)/t24-/m0/s1