2-[7-(1H-imidazol-2-ylmethylcarbamoyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[7-(1H-imidazol-2-ylmethylcarbamoyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[7-(1H-imidazol-2-ylmethylcarbamoyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[7-[(1H-imidazol-2-ylmethylamino)-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[7-(1H-imidazol-2-ylmethylcarbamoyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[7-(1H-imidazol-2-ylmethylcarbamoyl)-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C(=O)NCC3=NC=CN3)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1C2=C(C=CC(=C2)C(=O)NCC3=NC=CN3)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C24H25N5O4/c30-22(31)13-20-24(33)29(11-8-16-4-2-1-3-5-16)15-18-12-17(6-7-19(18)28-20)23(32)27-14-21-25-9-10-26-21/h1-7,9-10,12,20,28H,8,11,13-15H2,(H,25,26)(H,27,32)(H,30,31)