methyl 2-[[(3S)-3-[[2-[(6-aminocarbonyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazol-5-yl]carbonylamino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]sulfamoyl]benzoate

Systemtic Name: methyl 2-[[(3S)-3-[[2-[(6-aminocarbonyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazol-5-yl]carbonylamino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]sulfamoyl]benzoate Openeye Name: methyl 2-[[(3S)-4-benzyloxy-3-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-4-oxo-butanoyl]sulfamoyl]benzoate CAS Name: 2-[[(3S)-3-[[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-5-benzimidazolyl]-oxomethyl]amino]-1,4-dioxo-4-phenylmethoxybutyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[(3S)-3-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methylbenzimidazole-5-carbonyl]amino]-4-oxo-4-phenylmethoxybutanoyl]sulfamoyl]benzoate Traditional Name: 2-[[(3S)-4-benzoxy-3-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-4-keto-butanoyl]sulfamoyl]benzoic acid methyl ester Formula: C37H33N7O9S MolecularWeight: 751.76442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NC(CC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)OC)C(=O)OCC4=CC=CC=C4)N=C1CC5=NC6=C(N5)C=C(C=C6)C(=O)N

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)N[C@@H](CC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)OC)C(=O)OCC4=CC=CC=C4)N=C1CC5=NC6=C(N5)C=C(C=C6)C(=O)N

InChI

InChI=1S/C37H33N7O9S/c1-44-29-17-23(13-15-26(29)41-32(44)19-31-39-25-14-12-22(34(38)46)16-27(25)40-31)35(47)42-28(37(49)53-20-21-8-4-3-5-9-21)18-33(45)43-54(50,51)30-11-7-6-10-24(30)36(48)52-2/h3-17,28H,18-20H2,1-2H3,(H2,38,46)(H,39,40)(H,42,47)(H,43,45)/t28-/m0/s1