tert-butyl 2-[3-(aminocarbonylamino)-1-(2,2-dimethylpropanoyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-(aminocarbonylamino)-1-(2,2-dimethylpropanoyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: tert-butyl 2-[1-(2,2-dimethylpropanoyl)-4-oxo-3-ureido-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[3-(carbamoylamino)-1-(2,2-dimethyl-1-oxopropyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(carbamoylamino)-1-(2,2-dimethylpropanoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-(4-keto-1-pivaloyl-3-ureido-2,3-dihydro-1,5-benzodiazepin-5-yl)acetic acid tert-butyl ester Formula: C21H30N4O5 MolecularWeight: 418.4867

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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)OC(C)(C)C)NC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O5/c1-20(2,3)18(28)25-11-13(23-19(22)29)17(27)24(12-16(26)30-21(4,5)6)14-9-7-8-10-15(14)25/h7-10,13H,11-12H2,1-6H3,(H3,22,23,29)