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

Systemtic Name: 4-azanyl-N5-(furan-2-ylmethyl)-N5-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-hexan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(2-furylmethyl)-N5-[(1S)-1-(isopentylcarbamoyl)pentyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(2-furanylmethyl)-N5-[(2S)-1-(3-methylbutylamino)-1-oxohexan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(furan-2-ylmethyl)-5-N-[(2S)-1-(3-methylbutylamino)-1-oxohexan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(2-furfuryl)-N'-[(1S)-1-(isoamylcarbamoyl)pentyl]isothiazole-3,5-dicarboxamide Formula: C21H31N5O4S MolecularWeight: 449.56694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCCC(C)C)N(CC1=CC=CO1)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CCCC[C@@H](C(=O)NCCC(C)C)N(CC1=CC=CO1)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C21H31N5O4S/c1-4-5-8-15(20(28)24-10-9-13(2)3)26(12-14-7-6-11-30-14)21(29)18-16(22)17(19(23)27)25-31-18/h6-7,11,13,15H,4-5,8-10,12,22H2,1-3H3,(H2,23,27)(H,24,28)/t15-/m0/s1