(2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopropyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopropyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopropyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-N-cyclopropyl-1-[(3-phenoxyphenyl)methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopropyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-(1H-benzimidazol-2-ylthio)-N-cyclopropyl-1-(3-phenoxybenzyl)pyrrolidin-1-ium-2-carboxamide Formula: C28H29N4O2S+ MolecularWeight: 485.62046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2CC(C[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4)SC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CC1NC(=O)[C@@H]2C[C@H](C[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4)SC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C28H28N4O2S/c33-27(29-20-13-14-20)26-16-23(35-28-30-24-11-4-5-12-25(24)31-28)18-32(26)17-19-7-6-10-22(15-19)34-21-8-2-1-3-9-21/h1-12,15,20,23,26H,13-14,16-18H2,(H,29,33)(H,30,31)/p+1/t23-,26+/m1/s1