4-azanyl-N3-cyclohexyl-N5-(furan-2-ylmethyl)-N5-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-hexan-2-yl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N3-cyclohexyl-N5-(furan-2-ylmethyl)-N5-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-hexan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N3-cyclohexyl-N5-(2-furylmethyl)-N5-[(1S)-1-(isopentylcarbamoyl)pentyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N3-cyclohexyl-N5-(2-furanylmethyl)-N5-[(2S)-1-(3-methylbutylamino)-1-oxohexan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-3-N-cyclohexyl-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-cyclohexyl-N'-(2-furfuryl)-N'-[(1S)-1-(isoamylcarbamoyl)pentyl]isothiazole-3,5-dicarboxamide Formula: C27H41N5O4S MolecularWeight: 531.71054

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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)NC3CCCCC3)N

Isomeric SMILES

CCCC[C@@H](C(=O)NCCC(C)C)N(CC1=CC=CO1)C(=O)C2=C(C(=NS2)C(=O)NC3CCCCC3)N

InChI

InChI=1S/C27H41N5O4S/c1-4-5-13-21(25(33)29-15-14-18(2)3)32(17-20-12-9-16-36-20)27(35)24-22(28)23(31-37-24)26(34)30-19-10-7-6-8-11-19/h9,12,16,18-19,21H,4-8,10-11,13-15,17,28H2,1-3H3,(H,29,33)(H,30,34)/t21-/m0/s1