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

Systemtic Name: 2-[(2S)-7-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-oxidanylidene-4-propan-2-yl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-7-(1H-benzimidazol-2-ylmethylcarbamoyl)-4-isopropyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[(2S)-7-[(1H-benzimidazol-2-ylmethylamino)-oxomethyl]-3-oxo-4-propan-2-yl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[(2S)-7-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-oxo-4-propan-2-yl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[(2S)-7-(1H-benzimidazol-2-ylmethylcarbamoyl)-4-isopropyl-3-keto-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC2=C(C=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)O

Isomeric SMILES

CC(C)N1CC2=C(C=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3)N[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C23H25N5O4/c1-13(2)28-12-15-9-14(7-8-16(15)25-19(23(28)32)10-21(29)30)22(31)24-11-20-26-17-5-3-4-6-18(17)27-20/h3-9,13,19,25H,10-12H2,1-2H3,(H,24,31)(H,26,27)(H,29,30)/t19-/m0/s1