ethyl 2-[[(3S)-2-oxidanylidene-1-(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)azepan-3-yl]amino]-4-phenyl-butanoate

Systemtic Name: ethyl 2-[[(3S)-2-oxidanylidene-1-(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)azepan-3-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[(3S)-1-(2-benzyloxy-1-methyl-2-oxo-ethyl)-2-oxo-azepan-3-yl]amino]-4-phenyl-butanoate CAS Name: 2-[[(3S)-2-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)-3-azepanyl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[(3S)-2-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)azepan-3-yl]amino]-4-phenylbutanoate Traditional Name: 2-[[(3S)-1-(2-benzoxy-2-keto-1-methyl-ethyl)-2-keto-azepan-3-yl]amino]-4-phenyl-butyric acid ethyl ester Formula: C28H36N2O5 MolecularWeight: 480.59584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCCN(C2=O)C(C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)N[C@H]2CCCCN(C2=O)C(C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H36N2O5/c1-3-34-28(33)25(18-17-22-12-6-4-7-13-22)29-24-16-10-11-19-30(26(24)31)21(2)27(32)35-20-23-14-8-5-9-15-23/h4-9,12-15,21,24-25,29H,3,10-11,16-20H2,1-2H3/t21?,24-,25?/m0/s1