(phenylmethyl) (3S)-3-azanyl-4-[[(2S)-3-cyclooctyl-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (3S)-3-azanyl-4-[[(2S)-3-cyclooctyl-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: benzyl (3S)-3-amino-4-[[(1S)-2-benzyloxy-1-(cyclooctylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: (3S)-3-amino-4-[[(2S)-3-cyclooctyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-amino-4-[[(2S)-3-cyclooctyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate Traditional Name: (3S)-3-amino-4-[[(1S)-2-benzoxy-1-(cyclooctylmethyl)-2-keto-ethyl]amino]-4-keto-butyric acid benzyl ester Formula: C29H38N2O5 MolecularWeight: 494.62242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C(CC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

C1CCCC(CCC1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)[C@H](CC(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C29H38N2O5/c30-25(19-27(32)35-20-23-14-8-4-9-15-23)28(33)31-26(18-22-12-6-2-1-3-7-13-22)29(34)36-21-24-16-10-5-11-17-24/h4-5,8-11,14-17,22,25-26H,1-3,6-7,12-13,18-21,30H2,(H,31,33)/t25-,26-/m0/s1