tert-butyl 2-[1-cyclohexylcarbonyl-3-[(3-methylphenyl)carbamoylamino]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate

Systemtic Name: tert-butyl 2-[1-cyclohexylcarbonyl-3-[(3-methylphenyl)carbamoylamino]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: tert-butyl 2-[1-(cyclohexanecarbonyl)-3-(m-tolylcarbamoylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[1-[cyclohexyl(oxo)methyl]-3-[[(3-methylanilino)-oxomethyl]amino]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-(cyclohexanecarbonyl)-3-[(3-methylphenyl)carbamoylamino]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-[1-(cyclohexanecarbonyl)-4-keto-3-(m-tolylcarbamoylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid tert-butyl ester Formula: C30H38N4O5 MolecularWeight: 534.64652

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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)OC(C)(C)C)C(=O)C4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)OC(C)(C)C)C(=O)C4CCCCC4

InChI

InChI=1S/C30H38N4O5/c1-20-11-10-14-22(17-20)31-29(38)32-23-18-33(27(36)21-12-6-5-7-13-21)24-15-8-9-16-25(24)34(28(23)37)19-26(35)39-30(2,3)4/h8-11,14-17,21,23H,5-7,12-13,18-19H2,1-4H3,(H2,31,32,38)