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

Systemtic Name: 2-[[1-(4-tert-butylphenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]carbonylamino]propanoic acid Openeye Name: 2-[[1-(4-tert-butylbenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]propanoic acid CAS Name: 2-[[[1-[(4-tert-butylphenyl)-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[1-(4-tert-butylbenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]propanoic acid Traditional Name: 2-[[1-(4-tert-butylbenzoyl)-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]propionic acid Formula: C30H31N3O5 MolecularWeight: 513.58424

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Descriptors Computed from Structure

Canonical SMILES:

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(=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/C30H31N3O5/c1-18(29(37)38)31-27(35)21-12-15-24-23(16-21)32-26(34)17-25(19-8-6-5-7-9-19)33(24)28(36)20-10-13-22(14-11-20)30(2,3)4/h5-16,18,25H,17H2,1-4H3,(H,31,35)(H,32,34)(H,37,38)