(2S)-3-phenylmethoxy-2-[[(3R)-1,1,4-tris(oxidanylidene)-2-(1,3-thiazol-2-ylmethyl)-1,2,5-thiadiazolidin-3-yl]amino]propanoic acid

Systemtic Name: (2S)-3-phenylmethoxy-2-[[(3R)-1,1,4-tris(oxidanylidene)-2-(1,3-thiazol-2-ylmethyl)-1,2,5-thiadiazolidin-3-yl]amino]propanoic acid Openeye Name: (2S)-3-benzyloxy-2-[[(3R)-1,1,4-trioxo-2-(thiazol-2-ylmethyl)-1,2,5-thiadiazolidin-3-yl]amino]propanoic acid CAS Name: (2S)-3-phenylmethoxy-2-[[(3R)-1,1,4-trioxo-2-(2-thiazolylmethyl)-1,2,5-thiadiazolidin-3-yl]amino]propanoic acid IUPAC Name: (2S)-3-phenylmethoxy-2-[[(3R)-1,1,4-trioxo-2-(1,3-thiazol-2-ylmethyl)-1,2,5-thiadiazolidin-3-yl]amino]propanoic acid Traditional Name: (2S)-3-benzoxy-2-[[(3R)-1,1,4-triketo-2-(thiazol-2-ylmethyl)-1,2,5-thiadiazolidin-3-yl]amino]propionic acid Formula: C16H18N4O6S2 MolecularWeight: 426.46732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(C(=O)O)NC2C(=O)NS(=O)(=O)N2CC3=NC=CS3

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H](C(=O)O)N[C@H]2C(=O)NS(=O)(=O)N2CC3=NC=CS3

InChI

InChI=1S/C16H18N4O6S2/c21-15-14(20(28(24,25)19-15)8-13-17-6-7-27-13)18-12(16(22)23)10-26-9-11-4-2-1-3-5-11/h1-7,12,14,18H,8-10H2,(H,19,21)(H,22,23)/t12-,14+/m0/s1