S-(1,3-benzothiazol-2-yl) 2-[2,6-bis(azanyl)hexanoylamino]-4-methyl-pentanethioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 2-[2,6-bis(azanyl)hexanoylamino]-4-methyl-pentanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 2-(2,6-diaminohexanoylamino)-4-methyl-pentanethioate CAS Name: 2-[(2,6-diamino-1-oxohexyl)amino]-4-methylpentanethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 2-(2,6-diaminohexanoylamino)-4-methylpentanethioate Traditional Name: 2-(2,6-diaminohexanoylamino)-4-methyl-pentanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C19H28N4O2S2 MolecularWeight: 408.58122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)SC1=NC2=CC=CC=C2S1)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C)CC(C(=O)SC1=NC2=CC=CC=C2S1)NC(=O)C(CCCCN)N

InChI

InChI=1S/C19H28N4O2S2/c1-12(2)11-15(22-17(24)13(21)7-5-6-10-20)18(25)27-19-23-14-8-3-4-9-16(14)26-19/h3-4,8-9,12-13,15H,5-7,10-11,20-21H2,1-2H3,(H,22,24)