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

Systemtic Name: 3-[(3-azanyl-2-tert-butyl-5-morpholin-4-yl-2H-1,3-benzothiazol-6-yl)carbonyldisulfanyl]propanoic acid Openeye Name: 3-[(3-amino-2-tert-butyl-5-morpholino-2H-1,3-benzothiazole-6-carbonyl)disulfanyl]propanoic acid CAS Name: 3-[[[3-amino-2-tert-butyl-5-(4-morpholinyl)-2H-1,3-benzothiazol-6-yl]-oxomethyl]disulfanyl]propanoic acid IUPAC Name: 3-[(3-amino-2-tert-butyl-5-morpholin-4-yl-2H-1,3-benzothiazole-6-carbonyl)disulfanyl]propanoic acid Traditional Name: 3-[(3-amino-2-tert-butyl-5-morpholino-2H-1,3-benzothiazole-6-carbonyl)disulfanyl]propionic acid Formula: C19H27N3O4S3 MolecularWeight: 457.63038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1N(C2=C(S1)C=C(C(=C2)N3CCOCC3)C(=O)SSCCC(=O)O)N

Isomeric SMILES

CC(C)(C)C1N(C2=C(S1)C=C(C(=C2)N3CCOCC3)C(=O)SSCCC(=O)O)N

InChI

InChI=1S/C19H27N3O4S3/c1-19(2,3)18-22(20)14-11-13(21-5-7-26-8-6-21)12(10-15(14)28-18)17(25)29-27-9-4-16(23)24/h10-11,18H,4-9,20H2,1-3H3,(H,23,24)