2-[1,3-benzothiazol-2-yl-[2,6-bis(azanyl)hexanoyl]amino]-4-methyl-pentanethioic S-acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)S)N(C1=NC2=CC=CC=C2S1)C(=O)C(CCCCN)N

Isomeric SMILES

CC(C)CC(C(=O)S)N(C1=NC2=CC=CC=C2S1)C(=O)C(CCCCN)N

InChI

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