N-tert-butyl-3-oxidanyl-4-(2-phenylbutanoyl)-3-(2-pyridin-3-yloxyethanoylamino)-1,3-thiazolidin-3-ium-4-carboxamide; 2-methylpropanimidate

Systemtic Name: N-tert-butyl-3-oxidanyl-4-(2-phenylbutanoyl)-3-(2-pyridin-3-yloxyethanoylamino)-1,3-thiazolidin-3-ium-4-carboxamide; 2-methylpropanimidate Openeye Name: N-tert-butyl-3-hydroxy-4-(2-phenylbutanoyl)-3-[[2-(3-pyridyloxy)acetyl]amino]thiazolidin-3-ium-4-carboxamide; 2-methylpropanimidate CAS Name: N-tert-butyl-3-hydroxy-4-(1-oxo-2-phenylbutyl)-3-[[1-oxo-2-(3-pyridinyloxy)ethyl]amino]-4-thiazolidin-3-iumcarboxamide; 2-methylpropanimidate IUPAC Name: N-tert-butyl-3-hydroxy-4-(2-phenylbutanoyl)-3-[(2-pyridin-3-yloxyacetyl)amino]-1,3-thiazolidin-3-ium-4-carboxamide; 2-methylpropanimidate Traditional Name: N-tert-butyl-3-hydroxy-4-(2-phenylbutanoyl)-3-[[2-(3-pyridyloxy)acetyl]amino]thiazolidin-3-ium-4-carboxamide; 2-methylpropionimidate Formula: C29H41N5O6S MolecularWeight: 587.73074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)C2(CSC[N+]2(NC(=O)COC3=CN=CC=C3)O)C(=O)NC(C)(C)C.CC(C)C(=N)[O-]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)C2(CSC[N+]2(NC(=O)COC3=CN=CC=C3)O)C(=O)NC(C)(C)C.CC(C)C(=N)[O-]

InChI

InChI=1S/C25H32N4O5S.C4H9NO/c1-5-20(18-10-7-6-8-11-18)22(31)25(23(32)27-24(2,3)4)16-35-17-29(25,33)28-21(30)15-34-19-12-9-13-26-14-19;1-3(2)4(5)6/h6-14,20,33H,5,15-17H2,1-4H3,(H-,27,28,30,32);3H,1-2H3,(H2,5,6)