2-[4-formamido-2-oxidanylidene-4-phenyl-3-[(3-phenylmethoxycarbonyl-1,3-thiazolidin-4-yl)carbonyl]-1,3-thiazolidin-3-ium-3-yl]butanoic acid

Systemtic Name: 2-[4-formamido-2-oxidanylidene-4-phenyl-3-[(3-phenylmethoxycarbonyl-1,3-thiazolidin-4-yl)carbonyl]-1,3-thiazolidin-3-ium-3-yl]butanoic acid Openeye Name: 2-[3-(3-benzyloxycarbonylthiazolidine-4-carbonyl)-4-formamido-2-oxo-4-phenyl-thiazolidin-3-ium-3-yl]butanoic acid CAS Name: 2-[4-formamido-2-oxo-3-[oxo-(3-phenylmethoxycarbonyl-4-thiazolidinyl)methyl]-4-phenyl-3-thiazolidin-3-iumyl]butanoic acid IUPAC Name: 2-[4-formamido-2-oxo-4-phenyl-3-(3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidin-3-ium-3-yl]butanoic acid Traditional Name: 2-[3-(3-carbobenzoxythiazolidine-4-carbonyl)-4-formamido-2-keto-4-phenyl-thiazolidin-3-ium-3-yl]butyric acid Formula: C26H28N3O7S2+ MolecularWeight: 558.64642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)[N+]1(C(=O)SCC1(C2=CC=CC=C2)NC=O)C(=O)C3CSCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)O)[N+]1(C(=O)SCC1(C2=CC=CC=C2)NC=O)C(=O)C3CSCN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O7S2/c1-2-21(23(32)33)29(25(35)38-15-26(29,27-16-30)19-11-7-4-8-12-19)22(31)20-14-37-17-28(20)24(34)36-13-18-9-5-3-6-10-18/h3-12,16,20-21H,2,13-15,17H2,1H3,(H-,27,30,32,33)/p+1