methyl 2-[5-oxidanylidene-4-phenethyl-8-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: methyl 2-[5-oxidanylidene-4-phenethyl-8-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: methyl 2-[8-(benzyloxycarbonylamino)-5-oxo-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[5-oxo-4-phenethyl-8-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-oxo-4-phenethyl-8-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[8-(benzyloxycarbonylamino)-5-keto-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid methyl ester Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CN(C(=O)C2=C(N1)C=C(C=C2)NC(=O)OCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)CC1CN(C(=O)C2=C(N1)C=C(C=C2)NC(=O)OCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

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