[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl] ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31N3O5/c1-15-6-21(29)27-19-4-2-3-5-20(19)28(15)22(30)14-33-23(31)13-26-24(32)25-10-16-7-17(11-25)9-18(8-16)12-25/h2-5,15-18H,6-14H2,1H3,(H,26,32)(H,27,29)