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

Systemtic Name: tert-butyl 2-[3-(aminocarbonylamino)-1-cyclohexyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: tert-butyl 2-(1-cyclohexyl-4-oxo-3-ureido-2,3-dihydro-1,5-benzodiazepin-5-yl)acetate CAS Name: 2-[3-(carbamoylamino)-1-cyclohexyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(carbamoylamino)-1-cyclohexyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-(1-cyclohexyl-4-keto-3-ureido-2,3-dihydro-1,5-benzodiazepin-5-yl)acetic acid tert-butyl ester Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)N)C3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)N)C3CCCCC3

InChI

InChI=1S/C22H32N4O4/c1-22(2,3)30-19(27)14-26-18-12-8-7-11-17(18)25(15-9-5-4-6-10-15)13-16(20(26)28)24-21(23)29/h7-8,11-12,15-16H,4-6,9-10,13-14H2,1-3H3,(H3,23,24,29)