2-[(2S)-7-[(6-cyano-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-cyano-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-cyano-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-cyano-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-cyano-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-cyano-1H-benzimidazol-2-yl)methyl-methyl-carbamoyl]-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C23H22N6O4 MolecularWeight: 446.45858

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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)C#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)C#N)N[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C23H22N6O4/c1-28-11-15-8-14(4-6-16(15)25-19(23(28)33)9-21(30)31)22(32)29(2)12-20-26-17-5-3-13(10-24)7-18(17)27-20/h3-8,19,25H,9,11-12H2,1-2H3,(H,26,27)(H,30,31)/t19-/m0/s1