2-[(2S)-7-[(6-azanyl-1H-benzimidazol-2-yl)methyl-methyl-carbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-7-[(6-azanyl-1H-benzimidazol-2-yl)methyl-methyl-carbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-7-[(6-amino-1H-benzimidazol-2-yl)methyl-methyl-carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[(2S)-7-[[(6-amino-1H-benzimidazol-2-yl)methyl-methylamino]-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[(2S)-7-[(6-amino-1H-benzimidazol-2-yl)methyl-methylcarbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[(2S)-7-[(6-amino-1H-benzimidazol-2-yl)methyl-methyl-carbamoyl]-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)N(C)CC3=NC4=C(N3)C=C(C=C4)N)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)N(C)CC3=NC4=C(N3)C=C(C=C4)N)N[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C22H24N6O4/c1-27-10-13-7-12(3-5-15(13)24-18(22(27)32)9-20(29)30)21(31)28(2)11-19-25-16-6-4-14(23)8-17(16)26-19/h3-8,18,24H,9-11,23H2,1-2H3,(H,25,26)(H,29,30)/t18-/m0/s1