(2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]glutaric acid Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C18H21N3O5S/c22-15(23)6-5-13(17(24)25)20-18(26)21-9-7-11(8-10-21)16-19-12-3-1-2-4-14(12)27-16/h1-4,11,13H,5-10H2,(H,20,26)(H,22,23)(H,24,25)/t13-/m0/s1