2-[[5-oxidanylidene-4-[(5E)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]pentanoyl]amino]propanoic acid

Systemtic Name: 2-[[5-oxidanylidene-4-[(5E)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]pentanoyl]amino]propanoic acid Openeye Name: 2-[[4-[(5E)-5-benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl]-5-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]-5-oxo-pentanoyl]amino]propanoic acid CAS Name: 2-[[5-[(1-hydroxy-1-oxopropan-2-yl)amino]-1,5-dioxo-4-[(5E)-4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]pentyl]amino]propanoic acid IUPAC Name: 2-[[4-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-[(1-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoyl]amino]propanoic acid Traditional Name: 2-[[4-[(5E)-5-benzal-4-keto-2-thioxo-thiazolidin-3-yl]-5-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]-5-keto-pentanoyl]amino]propionic acid Formula: C21H23N3O7S2 MolecularWeight: 493.55322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCC(C(=O)NC(C)C(=O)O)N1C(=O)C(=CC2=CC=CC=C2)SC1=S

Isomeric SMILES

CC(C(=O)O)NC(=O)CCC(C(=O)NC(C)C(=O)O)N1C(=O)/C(=C\C2=CC=CC=C2)/SC1=S

InChI

InChI=1S/C21H23N3O7S2/c1-11(19(28)29)22-16(25)9-8-14(17(26)23-12(2)20(30)31)24-18(27)15(33-21(24)32)10-13-6-4-3-5-7-13/h3-7,10-12,14H,8-9H2,1-2H3,(H,22,25)(H,23,26)(H,28,29)(H,30,31)/b15-10+