ethyl 4-oxidanylidene-4-[[6-oxidanylidene-6-(1-phenylethylamino)-5-(phenylmethoxycarbonylamino)hexyl]amino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[[6-oxidanylidene-6-(1-phenylethylamino)-5-(phenylmethoxycarbonylamino)hexyl]amino]butanoate Openeye Name: ethyl 4-[[5-(benzyloxycarbonylamino)-6-oxo-6-(1-phenylethylamino)hexyl]amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[6-oxo-6-(1-phenylethylamino)-5-(phenylmethoxycarbonylamino)hexyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[[6-oxo-6-(1-phenylethylamino)-5-(phenylmethoxycarbonylamino)hexyl]amino]butanoate Traditional Name: 4-[[5-(benzyloxycarbonylamino)-6-keto-6-(1-phenylethylamino)hexyl]amino]-4-keto-butyric acid ethyl ester Formula: C28H37N3O6 MolecularWeight: 511.60988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NCCCCC(C(=O)NC(C)C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC(=O)NCCCCC(C(=O)NC(C)C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H37N3O6/c1-3-36-26(33)18-17-25(32)29-19-11-10-16-24(27(34)30-21(2)23-14-8-5-9-15-23)31-28(35)37-20-22-12-6-4-7-13-22/h4-9,12-15,21,24H,3,10-11,16-20H2,1-2H3,(H,29,32)(H,30,34)(H,31,35)