tert-butyl 2-[2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[2-[3-(m-tolylcarbamoylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]pyrrolidine-1-carboxylate CAS Name: 2-[2-[3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-1-oxoethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-[2-keto-3-(m-tolylcarbamoylamino)-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C34H37N5O5 MolecularWeight: 595.68808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)C5CCCN5C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)C5CCCN5C(=O)OC(C)(C)C

InChI

InChI=1S/C34H37N5O5/c1-22-12-10-15-24(20-22)35-32(42)37-30-31(41)39(21-28(40)27-18-11-19-38(27)33(43)44-34(2,3)4)26-17-9-8-16-25(26)29(36-30)23-13-6-5-7-14-23/h5-10,12-17,20,27,30H,11,18-19,21H2,1-4H3,(H2,35,37,42)