4-azanyl-N5-[(2S)-1-(tert-butylamino)-1-oxidanylidene-hexan-2-yl]-N5-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(2S)-1-(tert-butylamino)-1-oxidanylidene-hexan-2-yl]-N5-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-benzyl-N5-[(1S)-1-(tert-butylcarbamoyl)pentyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(2S)-1-(tert-butylamino)-1-oxohexan-2-yl]-N5-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-benzyl-5-N-[(2S)-1-(tert-butylamino)-1-oxohexan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-benzyl-N'-[(1S)-1-(tert-butylcarbamoyl)pentyl]isothiazole-3,5-dicarboxamide Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(C)(C)C)N(CC1=CC=CC=C1)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CCCC[C@@H](C(=O)NC(C)(C)C)N(CC1=CC=CC=C1)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C22H31N5O3S/c1-5-6-12-15(20(29)25-22(2,3)4)27(13-14-10-8-7-9-11-14)21(30)18-16(23)17(19(24)28)26-31-18/h7-11,15H,5-6,12-13,23H2,1-4H3,(H2,24,28)(H,25,29)/t15-/m0/s1