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

Systemtic Name: N-tert-butyl-3-(2-methylbutanoylamino)-3-oxidanyl-4-(2-phenylbutanoyl)-1,3-thiazolidin-3-ium-4-carboxamide; 2-isoquinolin-5-yloxyethanimidate Openeye Name: N-tert-butyl-3-hydroxy-3-(2-methylbutanoylamino)-4-(2-phenylbutanoyl)thiazolidin-3-ium-4-carboxamide; 2-(5-isoquinolyloxy)ethanimidate CAS Name: N-tert-butyl-3-hydroxy-3-[(2-methyl-1-oxobutyl)amino]-4-(1-oxo-2-phenylbutyl)-4-thiazolidin-3-iumcarboxamide; 2-(5-isoquinolinyloxy)ethanimidate IUPAC Name: N-tert-butyl-3-hydroxy-3-(2-methylbutanoylamino)-4-(2-phenylbutanoyl)-1,3-thiazolidin-3-ium-4-carboxamide; 2-isoquinolin-5-yloxyethanimidate Traditional Name: N-tert-butyl-3-hydroxy-3-(2-methylbutanoylamino)-4-(2-phenylbutanoyl)thiazolidin-3-ium-4-carboxamide; 2-(5-isoquinolyloxy)acetimidate Formula: C34H45N5O6S MolecularWeight: 651.816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)N[N+]1(CSCC1(C(=O)C(CC)C2=CC=CC=C2)C(=O)NC(C)(C)C)O.C1=CC2=C(C=CN=C2)C(=C1)OCC(=N)[O-]

Isomeric SMILES

CCC(C)C(=O)N[N+]1(CSCC1(C(=O)C(CC)C2=CC=CC=C2)C(=O)NC(C)(C)C)O.C1=CC2=C(C=CN=C2)C(=C1)OCC(=N)[O-]

InChI

InChI=1S/C23H35N3O4S.C11H10N2O2/c1-7-16(3)20(28)25-26(30)15-31-14-23(26,21(29)24-22(4,5)6)19(27)18(8-2)17-12-10-9-11-13-17;12-11(14)7-15-10-3-1-2-8-6-13-5-4-9(8)10/h9-13,16,18,30H,7-8,14-15H2,1-6H3,(H-,24,25,28,29);1-6H,7H2,(H2,12,14)