3-[[3-azanyl-2-tert-butyl-5-(4-methylpiperazin-1-yl)-2H-1,3-benzothiazol-6-yl]carbonyldisulfanyl]propanoic acid

Systemtic Name: 3-[[3-azanyl-2-tert-butyl-5-(4-methylpiperazin-1-yl)-2H-1,3-benzothiazol-6-yl]carbonyldisulfanyl]propanoic acid Openeye Name: 3-[[3-amino-2-tert-butyl-5-(4-methylpiperazin-1-yl)-2H-1,3-benzothiazole-6-carbonyl]disulfanyl]propanoic acid CAS Name: 3-[[[3-amino-2-tert-butyl-5-(4-methyl-1-piperazinyl)-2H-1,3-benzothiazol-6-yl]-oxomethyl]disulfanyl]propanoic acid IUPAC Name: 3-[[3-amino-2-tert-butyl-5-(4-methylpiperazin-1-yl)-2H-1,3-benzothiazole-6-carbonyl]disulfanyl]propanoic acid Traditional Name: 3-[[3-amino-2-tert-butyl-5-(4-methylpiperazino)-2H-1,3-benzothiazole-6-carbonyl]disulfanyl]propionic acid Formula: C20H30N4O3S3 MolecularWeight: 470.6722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1N(C2=C(S1)C=C(C(=C2)N3CCN(CC3)C)C(=O)SSCCC(=O)O)N

Isomeric SMILES

CC(C)(C)C1N(C2=C(S1)C=C(C(=C2)N3CCN(CC3)C)C(=O)SSCCC(=O)O)N

InChI

InChI=1S/C20H30N4O3S3/c1-20(2,3)19-24(21)15-12-14(23-8-6-22(4)7-9-23)13(11-16(15)29-19)18(27)30-28-10-5-17(25)26/h11-12,19H,5-10,21H2,1-4H3,(H,25,26)