2-[3-oxidanylidene-4-phenethyl-8-(4-pyridin-2-ylbutylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[3-oxidanylidene-4-phenethyl-8-(4-pyridin-2-ylbutylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[3-oxo-4-phenethyl-8-[4-(2-pyridyl)butylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[3-oxo-8-[oxo-[4-(2-pyridinyl)butylamino]methyl]-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[3-oxo-4-phenethyl-8-(4-pyridin-2-ylbutylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[3-keto-4-phenethyl-8-[4-(2-pyridyl)butylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(=O)NCCCCC3=CC=CC=N3)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1C2=C(C=C(C=C2)C(=O)NCCCCC3=CC=CC=N3)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C29H32N4O4/c34-27(35)19-26-29(37)33(17-14-21-8-2-1-3-9-21)20-23-13-12-22(18-25(23)32-26)28(36)31-16-7-5-11-24-10-4-6-15-30-24/h1-4,6,8-10,12-13,15,18,26,32H,5,7,11,14,16-17,19-20H2,(H,31,36)(H,34,35)