(2S,4R)-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-1-[(2-hydroxy-3-methoxy-phenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-pyridylsulfanyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-pyridinylthio)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-pyridin-2-ylsulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-1-(2-hydroxy-3-methoxy-benzyl)-N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-pyridylthio)pyrrolidin-1-ium-2-carboxamide Formula: C26H27N4O3S2+ MolecularWeight: 507.64758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3CC(C[NH+]3CC4=C(C(=CC=C4)OC)O)SC5=CC=CC=N5

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC(=O)[C@@H]3C[C@H](C[NH+]3CC4=C(C(=CC=C4)OC)O)SC5=CC=CC=N5

InChI

InChI=1S/C26H26N4O3S2/c1-16-28-20-12-18(9-10-23(20)34-16)29-26(32)21-13-19(35-24-8-3-4-11-27-24)15-30(21)14-17-6-5-7-22(33-2)25(17)31/h3-12,19,21,31H,13-15H2,1-2H3,(H,29,32)/p+1/t19-,21+/m1/s1