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

Systemtic Name: 2-[8-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[8-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[8-[[2-(1H-imidazol-5-yl)ethylamino]-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[8-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[8-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(=O)NCCC3=CN=CN3)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1C2=C(C=C(C=C2)C(=O)NCCC3=CN=CN3)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C25H27N5O4/c31-23(32)13-22-25(34)30(11-9-17-4-2-1-3-5-17)15-19-7-6-18(12-21(19)29-22)24(33)27-10-8-20-14-26-16-28-20/h1-7,12,14,16,22,29H,8-11,13,15H2,(H,26,28)(H,27,33)(H,31,32)