(phenylmethyl) 2-[1-(2,2-dimethylpropanoyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[1-(2,2-dimethylpropanoyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: benzyl 2-[3-(tert-butoxycarbonylamino)-1-(2,2-dimethylpropanoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[1-(2,2-dimethyl-1-oxopropyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-(2,2-dimethylpropanoyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-[3-(tert-butoxycarbonylamino)-4-keto-1-pivaloyl-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid benzyl ester Formula: C28H35N3O6 MolecularWeight: 509.594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CC(C(=O)N(C2=CC=CC=C21)CC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)N1CC(C(=O)N(C2=CC=CC=C21)CC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H35N3O6/c1-27(2,3)25(34)31-16-20(29-26(35)37-28(4,5)6)24(33)30(21-14-10-11-15-22(21)31)17-23(32)36-18-19-12-8-7-9-13-19/h7-15,20H,16-18H2,1-6H3,(H,29,35)