3-heptoxy-5-[5-(propan-2-ylamino)pentylcarbamoylamino]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-heptoxy-5-[5-(propan-2-ylamino)pentylcarbamoylamino]-1,2-thiazole-4-carboxylic acid Openeye Name: 3-heptoxy-5-[5-(isopropylamino)pentylcarbamoylamino]isothiazole-4-carboxylic acid CAS Name: 3-heptoxy-5-[[oxo-[5-(propan-2-ylamino)pentylamino]methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-heptoxy-5-[5-(propan-2-ylamino)pentylcarbamoylamino]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-heptoxy-5-[5-(isopropylamino)pentylcarbamoylamino]isothiazole-4-carboxylic acid Formula: C20H36N4O4S MolecularWeight: 428.58924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=NSC(=C1C(=O)O)NC(=O)NCCCCCNC(C)C

Isomeric SMILES

CCCCCCCOC1=NSC(=C1C(=O)O)NC(=O)NCCCCCNC(C)C

InChI

InChI=1S/C20H36N4O4S/c1-4-5-6-7-11-14-28-17-16(19(25)26)18(29-24-17)23-20(27)22-13-10-8-9-12-21-15(2)3/h15,21H,4-14H2,1-3H3,(H,25,26)(H2,22,23,27)