[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoate CAS Name: 3-[1-propyl-5-(1-pyrrolidinylsulfonyl)-2-benzimidazolyl]propanoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-propyl-5-pyrrolidinosulfonyl-benzimidazol-2-yl)propionic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C30H38N4O6S MolecularWeight: 582.71092

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)OCC(=O)C4=CC=C(C=C4)NC(=O)CC(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)OCC(=O)C4=CC=C(C=C4)NC(=O)CC(C)C

InChI

InChI=1S/C30H38N4O6S/c1-4-15-34-26-12-11-24(41(38,39)33-16-5-6-17-33)19-25(26)32-28(34)13-14-30(37)40-20-27(35)22-7-9-23(10-8-22)31-29(36)18-21(2)3/h7-12,19,21H,4-6,13-18,20H2,1-3H3,(H,31,36)