2-[[1-(4-tert-butylphenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[1-(4-tert-butylphenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-(4-tert-butylbenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[1-[(4-tert-butylphenyl)-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[1-(4-tert-butylbenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-(4-tert-butylbenzoyl)-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-4-methyl-valeric acid Formula: C33H37N3O5 MolecularWeight: 555.66398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C33H37N3O5/c1-20(2)17-26(32(40)41)35-30(38)23-13-16-27-25(18-23)34-29(37)19-28(21-9-7-6-8-10-21)36(27)31(39)22-11-14-24(15-12-22)33(3,4)5/h6-16,18,20,26,28H,17,19H2,1-5H3,(H,34,37)(H,35,38)(H,40,41)