3-[[3-[1,3-bis(azanyl)-1,3-bis(oxidanylidene)propan-2-yl]oxy-3-oxidanylidene-propyl]sulfanyl-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]methyl]sulfanylpropanoic acid

Systemtic Name: 3-[[3-[1,3-bis(azanyl)-1,3-bis(oxidanylidene)propan-2-yl]oxy-3-oxidanylidene-propyl]sulfanyl-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]methyl]sulfanylpropanoic acid Openeye Name: 3-[[3-(2-amino-1-carbamoyl-2-oxo-ethoxy)-3-oxo-propyl]sulfanyl-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]methyl]sulfanylpropanoic acid CAS Name: 3-[[[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-[[3-(1,3-diamino-1,3-dioxopropan-2-yl)oxy-3-oxopropyl]thio]methyl]thio]propanoic acid IUPAC Name: 3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(1,3-diamino-1,3-dioxopropan-2-yl)oxy-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid Traditional Name: 3-[[[[3-(2-amino-1-carbamoyl-2-keto-ethoxy)-3-keto-propyl]thio]-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]methyl]thio]propionic acid Formula: C27H26ClN3O6S2 MolecularWeight: 588.09484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(SCCC(=O)O)SCCC(=O)OC(C(=O)N)C(=O)N)C=CC2=NC3=C(C=CC(=C3)Cl)C=C2

Isomeric SMILES

C1=CC(=CC(=C1)C(SCCC(=O)O)SCCC(=O)OC(C(=O)N)C(=O)N)/C=C/C2=NC3=C(C=CC(=C3)Cl)C=C2

InChI

InChI=1S/C27H26ClN3O6S2/c28-19-7-5-17-6-9-20(31-21(17)15-19)8-4-16-2-1-3-18(14-16)27(38-12-10-22(32)33)39-13-11-23(34)37-24(25(29)35)26(30)36/h1-9,14-15,24,27H,10-13H2,(H2,29,35)(H2,30,36)(H,32,33)/b8-4+