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

Systemtic Name: 2-[(2S)-7-(1H-imidazol-5-ylmethylcarbamoyl)-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-7-(1H-imidazol-5-ylmethylcarbamoyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[(2S)-7-[(1H-imidazol-5-ylmethylamino)-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[(2S)-7-(1H-imidazol-5-ylmethylcarbamoyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[(2S)-7-(1H-imidazol-5-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=CN=CN3)NC(C1=O)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4/c1-22-8-11-4-10(16(25)19-7-12-6-18-9-20-12)2-3-13(11)21-14(17(22)26)5-15(23)24/h2-4,6,9,14,21H,5,7-8H2,1H3,(H,18,20)(H,19,25)(H,23,24)/t14-/m0/s1