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

Systemtic Name: 4-azanyl-N5-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-hexan-2-yl]-N5-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-benzyl-N5-[(1S)-1-(isopentylcarbamoyl)pentyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(2S)-1-(3-methylbutylamino)-1-oxohexan-2-yl]-N5-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-benzyl-5-N-[(2S)-1-(3-methylbutylamino)-1-oxohexan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-benzyl-N'-[(1S)-1-(isoamylcarbamoyl)pentyl]isothiazole-3,5-dicarboxamide Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O3S/c1-4-5-11-17(22(30)26-13-12-15(2)3)28(14-16-9-7-6-8-10-16)23(31)20-18(24)19(21(25)29)27-32-20/h6-10,15,17H,4-5,11-14,24H2,1-3H3,(H2,25,29)(H,26,30)/t17-/m0/s1