(2R,4R)-2-azanyl-4-(1,3-benzothiazol-2-ylmethyl)pentanedioic acid

Systemtic Name: (2R,4R)-2-azanyl-4-(1,3-benzothiazol-2-ylmethyl)pentanedioic acid Openeye Name: (2R,4R)-2-amino-4-(1,3-benzothiazol-2-ylmethyl)pentanedioic acid CAS Name: (2R,4R)-2-amino-4-(1,3-benzothiazol-2-ylmethyl)pentanedioic acid IUPAC Name: (2R,4R)-2-amino-4-(1,3-benzothiazol-2-ylmethyl)pentanedioic acid Traditional Name: (2R,4R)-2-amino-4-(1,3-benzothiazol-2-ylmethyl)glutaric acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CC(CC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C[C@@H](C[C@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C13H14N2O4S/c14-8(13(18)19)5-7(12(16)17)6-11-15-9-3-1-2-4-10(9)20-11/h1-4,7-8H,5-6,14H2,(H,16,17)(H,18,19)/t7-,8-/m1/s1