(2R)-3-methyl-2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid

Systemtic Name: (2R)-3-methyl-2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid Openeye Name: (2R)-3-methyl-2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid CAS Name: (2R)-3-methyl-2-[[2-(pentylthio)-1,3-benzothiazol-6-yl]sulfonylamino]butanoic acid IUPAC Name: (2R)-3-methyl-2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid Traditional Name: (2R)-2-[[2-(amylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butyric acid Formula: C17H24N2O4S3 MolecularWeight: 416.57846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N[C@H](C(C)C)C(=O)O

InChI

InChI=1S/C17H24N2O4S3/c1-4-5-6-9-24-17-18-13-8-7-12(10-14(13)25-17)26(22,23)19-15(11(2)3)16(20)21/h7-8,10-11,15,19H,4-6,9H2,1-3H3,(H,20,21)/t15-/m1/s1