2-[(2S)-7-[(4-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-[(4-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-[(4-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-[[(4-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-[(4-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-[(4-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=CC=C4N)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)N(C)CC3=NC4=C(N3)C=CC=C4N)N[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C22H24N6O4/c1-27-10-13-8-12(6-7-15(13)24-17(22(27)32)9-19(29)30)21(31)28(2)11-18-25-16-5-3-4-14(23)20(16)26-18/h3-8,17,24H,9-11,23H2,1-2H3,(H,25,26)(H,29,30)/t17-/m0/s1