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

Systemtic Name: tert-butyl 2-[1-cyclohexylcarbonyl-4-oxidanylidene-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: tert-butyl 2-[3-(benzyloxycarbonylamino)-1-(cyclohexanecarbonyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[1-[cyclohexyl(oxo)methyl]-4-oxo-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-(cyclohexanecarbonyl)-4-oxo-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-[3-(benzyloxycarbonylamino)-1-(cyclohexanecarbonyl)-4-keto-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid tert-butyl ester Formula: C30H37N3O6 MolecularWeight: 535.63128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)OCC3=CC=CC=C3)C(=O)C4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)OCC3=CC=CC=C3)C(=O)C4CCCCC4

InChI

InChI=1S/C30H37N3O6/c1-30(2,3)39-26(34)19-33-25-17-11-10-16-24(25)32(27(35)22-14-8-5-9-15-22)18-23(28(33)36)31-29(37)38-20-21-12-6-4-7-13-21/h4,6-7,10-13,16-17,22-23H,5,8-9,14-15,18-20H2,1-3H3,(H,31,37)