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

Systemtic Name: 4-azanyl-N5-[(2S)-1-(cyclopentylamino)-1-oxidanylidene-hexan-2-yl]-N5-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-benzyl-N5-[(1S)-1-(cyclopentylcarbamoyl)pentyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(2S)-1-(cyclopentylamino)-1-oxohexan-2-yl]-N5-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-benzyl-5-N-[(2S)-1-(cyclopentylamino)-1-oxohexan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-benzyl-N'-[(1S)-1-(cyclopentylcarbamoyl)pentyl]isothiazole-3,5-dicarboxamide Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1CCCC1)N(CC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CCCC[C@@H](C(=O)NC1CCCC1)N(CC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C23H31N5O3S/c1-2-3-13-17(22(30)26-16-11-7-8-12-16)28(14-15-9-5-4-6-10-15)23(31)20-18(24)19(21(25)29)27-32-20/h4-6,9-10,16-17H,2-3,7-8,11-14,24H2,1H3,(H2,25,29)(H,26,30)/t17-/m0/s1