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

Systemtic Name: 2-[3-oxidanylidene-4-phenethyl-8-(2-pyrazin-2-ylethylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[3-oxo-4-phenethyl-8-(2-pyrazin-2-ylethylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[3-oxo-8-[oxo-[2-(2-pyrazinyl)ethylamino]methyl]-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[3-oxo-4-phenethyl-8-(2-pyrazin-2-ylethylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[3-keto-4-phenethyl-8-(2-pyrazin-2-ylethylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C26H27N5O4 MolecularWeight: 473.52368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O4/c32-24(33)15-23-26(35)31(13-9-18-4-2-1-3-5-18)17-20-7-6-19(14-22(20)30-23)25(34)29-10-8-21-16-27-11-12-28-21/h1-7,11-12,14,16,23,30H,8-10,13,15,17H2,(H,29,34)(H,32,33)