methyl 2-[7-oxidanylidene-4-(3-phenylpropanoyl)-6-(3-phenylpropanoylamino)-1,4-diazepan-1-yl]propanoate

Systemtic Name: methyl 2-[7-oxidanylidene-4-(3-phenylpropanoyl)-6-(3-phenylpropanoylamino)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 2-[7-oxo-4-(3-phenylpropanoyl)-6-(3-phenylpropanoylamino)-1,4-diazepan-1-yl]propanoate CAS Name: 2-[7-oxo-4-(1-oxo-3-phenylpropyl)-6-[(1-oxo-3-phenylpropyl)amino]-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 2-[7-oxo-4-(3-phenylpropanoyl)-6-(3-phenylpropanoylamino)-1,4-diazepan-1-yl]propanoate Traditional Name: 2-[4-hydrocinnamoyl-6-(hydrocinnamoylamino)-7-keto-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N1CCN(CC(C1=O)NC(=O)CCC2=CC=CC=C2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OC)N1CCN(CC(C1=O)NC(=O)CCC2=CC=CC=C2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C27H33N3O5/c1-20(27(34)35-2)30-18-17-29(25(32)16-14-22-11-7-4-8-12-22)19-23(26(30)33)28-24(31)15-13-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3,(H,28,31)