(5S)-2-(butanoylamino)-N-[(2S)-6-methyl-6-oxidanyl-heptan-2-yl]-7-oxidanylidene-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide

Systemtic Name: (5S)-2-(butanoylamino)-N-[(2S)-6-methyl-6-oxidanyl-heptan-2-yl]-7-oxidanylidene-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide Openeye Name: (5S)-2-(butanoylamino)-N-[(1S)-5-hydroxy-1,5-dimethyl-hexyl]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide CAS Name: (5S)-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7-oxo-2-(1-oxobutylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide IUPAC Name: (5S)-2-(butanoylamino)-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide Traditional Name: (5S)-2-butyramido-N-[(1S)-5-hydroxy-1,5-dimethyl-hexyl]-7-keto-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C(=O)CC(C2)C(=O)NC(C)CCCC(C)(C)O

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C(=O)C[C@H](C2)C(=O)N[C@@H](C)CCCC(C)(C)O

InChI

InChI=1S/C20H31N3O4S/c1-5-7-16(25)23-19-22-14-10-13(11-15(24)17(14)28-19)18(26)21-12(2)8-6-9-20(3,4)27/h12-13,27H,5-11H2,1-4H3,(H,21,26)(H,22,23,25)/t12-,13-/m0/s1