N-tert-butyl-3-(2-isoquinolin-5-yloxyethanoylamino)-3-oxidanyl-4-(2-phenylbutanoyl)-1,3-thiazolidin-3-ium-4-carboxamide; 2-methylsulfanylpropanimidate

Systemtic Name: N-tert-butyl-3-(2-isoquinolin-5-yloxyethanoylamino)-3-oxidanyl-4-(2-phenylbutanoyl)-1,3-thiazolidin-3-ium-4-carboxamide; 2-methylsulfanylpropanimidate Openeye Name: N-tert-butyl-3-hydroxy-3-[[2-(5-isoquinolyloxy)acetyl]amino]-4-(2-phenylbutanoyl)thiazolidin-3-ium-4-carboxamide; 2-methylsulfanylpropanimidate CAS Name: N-tert-butyl-3-hydroxy-3-[[2-(5-isoquinolinyloxy)-1-oxoethyl]amino]-4-(1-oxo-2-phenylbutyl)-4-thiazolidin-3-iumcarboxamide; 2-(methylthio)propanimidate IUPAC Name: N-tert-butyl-3-hydroxy-3-[(2-isoquinolin-5-yloxyacetyl)amino]-4-(2-phenylbutanoyl)-1,3-thiazolidin-3-ium-4-carboxamide; 2-methylsulfanylpropanimidate Traditional Name: N-tert-butyl-3-hydroxy-3-[[2-(5-isoquinolyloxy)acetyl]amino]-4-(2-phenylbutanoyl)thiazolidin-3-ium-4-carboxamide; 2-(methylthio)propionimidate Formula: C33H43N5O6S2 MolecularWeight: 669.85442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)C2(CSC[N+]2(NC(=O)COC3=CC=CC4=C3C=CN=C4)O)C(=O)NC(C)(C)C.CC(C(=N)[O-])SC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)C2(CSC[N+]2(NC(=O)COC3=CC=CC4=C3C=CN=C4)O)C(=O)NC(C)(C)C.CC(C(=N)[O-])SC

InChI

InChI=1S/C29H34N4O5S.C4H9NOS/c1-5-22(20-10-7-6-8-11-20)26(35)29(27(36)31-28(2,3)4)18-39-19-33(29,37)32-25(34)17-38-24-13-9-12-21-16-30-15-14-23(21)24;1-3(7-2)4(5)6/h6-16,22,37H,5,17-19H2,1-4H3,(H-,31,32,34,36);3H,1-2H3,(H2,5,6)