2-[1-methyl-5-oxidanylidene-4-phenethyl-7-(phenylmethoxycarbonylamino)-2,3-dihydro-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[1-methyl-5-oxidanylidene-4-phenethyl-7-(phenylmethoxycarbonylamino)-2,3-dihydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[7-(benzyloxycarbonylamino)-1-methyl-5-oxo-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[1-methyl-5-oxo-4-phenethyl-7-(phenylmethoxycarbonylamino)-2,3-dihydro-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[1-methyl-5-oxo-4-phenethyl-7-(phenylmethoxycarbonylamino)-2,3-dihydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-(benzyloxycarbonylamino)-5-keto-1-methyl-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]acetate Formula: C28H28N3O5- MolecularWeight: 486.53902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CN(C(=O)C2=C1C=CC(=C2)NC(=O)OCC3=CC=CC=C3)CCC4=CC=CC=C4)CC(=O)[O-]

Isomeric SMILES

CN1C(CN(C(=O)C2=C1C=CC(=C2)NC(=O)OCC3=CC=CC=C3)CCC4=CC=CC=C4)CC(=O)[O-]

InChI

InChI=1S/C28H29N3O5/c1-30-23(17-26(32)33)18-31(15-14-20-8-4-2-5-9-20)27(34)24-16-22(12-13-25(24)30)29-28(35)36-19-21-10-6-3-7-11-21/h2-13,16,23H,14-15,17-19H2,1H3,(H,29,35)(H,32,33)/p-1