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

Systemtic Name: 2-[3-oxidanylidene-8-[2-(2-oxidanylidene-1H-pyridin-4-yl)ethylcarbamoyl]-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[3-oxo-8-[2-(2-oxo-1H-pyridin-4-yl)ethylcarbamoyl]-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[3-oxo-8-[oxo-[2-(2-oxo-1H-pyridin-4-yl)ethylamino]methyl]-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[3-oxo-8-[2-(2-oxo-1H-pyridin-4-yl)ethylcarbamoyl]-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[3-keto-8-[2-(2-keto-1H-pyridin-4-yl)ethylcarbamoyl]-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(=O)NCCC3=CC(=O)NC=C3)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1C2=C(C=C(C=C2)C(=O)NCCC3=CC(=O)NC=C3)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C27H28N4O5/c32-24-14-19(8-11-28-24)9-12-29-26(35)20-6-7-21-17-31(13-10-18-4-2-1-3-5-18)27(36)23(16-25(33)34)30-22(21)15-20/h1-8,11,14-15,23,30H,9-10,12-13,16-17H2,(H,28,32)(H,29,35)(H,33,34)