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

Systemtic Name: (phenylmethyl) 2-[1-(2,2-dimethylpropanoyl)-3-[(3-methylphenyl)carbamoylamino]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: benzyl 2-[1-(2,2-dimethylpropanoyl)-3-(m-tolylcarbamoylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[1-(2,2-dimethyl-1-oxopropyl)-3-[[(3-methylanilino)-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-[(3-methylphenyl)carbamoylamino]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-[4-keto-3-(m-tolylcarbamoylamino)-1-pivaloyl-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid benzyl ester Formula: C31H34N4O5 MolecularWeight: 542.62546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)OCC4=CC=CC=C4)C(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)OCC4=CC=CC=C4)C(=O)C(C)(C)C

InChI

InChI=1S/C31H34N4O5/c1-21-11-10-14-23(17-21)32-30(39)33-24-18-35(29(38)31(2,3)4)26-16-9-8-15-25(26)34(28(24)37)19-27(36)40-20-22-12-6-5-7-13-22/h5-17,24H,18-20H2,1-4H3,(H2,32,33,39)