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

Systemtic Name: 2-[8-[2-(3-methylimidazol-4-yl)ethylcarbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[8-[2-(3-methylimidazol-4-yl)ethylcarbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[8-[[2-(3-methyl-4-imidazolyl)ethylamino]-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[8-[2-(3-methylimidazol-4-yl)ethylcarbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[3-keto-8-[2-(3-methylimidazol-4-yl)ethylcarbamoyl]-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C26H29N5O4 MolecularWeight: 475.53956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CCNC(=O)C2=CC3=C(CN(C(=O)C(N3)CC(=O)O)CCC4=CC=CC=C4)C=C2

Isomeric SMILES

CN1C=NC=C1CCNC(=O)C2=CC3=C(CN(C(=O)C(N3)CC(=O)O)CCC4=CC=CC=C4)C=C2

InChI

InChI=1S/C26H29N5O4/c1-30-17-27-15-21(30)9-11-28-25(34)19-7-8-20-16-31(12-10-18-5-3-2-4-6-18)26(35)23(14-24(32)33)29-22(20)13-19/h2-8,13,15,17,23,29H,9-12,14,16H2,1H3,(H,28,34)(H,32,33)