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

Systemtic Name: 2-[(2S)-7-(1H-imidazol-2-ylmethylcarbamoyl)-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-7-(1H-imidazol-2-ylmethylcarbamoyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[(2S)-7-[(1H-imidazol-2-ylmethylamino)-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[(2S)-7-(1H-imidazol-2-ylmethylcarbamoyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[(2S)-7-(1H-imidazol-2-ylmethylcarbamoyl)-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)NCC3=NC=CN3)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)NCC3=NC=CN3)N[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C17H19N5O4/c1-22-9-11-6-10(16(25)20-8-14-18-4-5-19-14)2-3-12(11)21-13(17(22)26)7-15(23)24/h2-6,13,21H,7-9H2,1H3,(H,18,19)(H,20,25)(H,23,24)/t13-/m0/s1