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6-[[4-[2-[2,5-bis(oxidanylidene)-3-sulfanylidene-pyrrolidin-1-yl]-4-oxidanyl-4-oxidanylidene-butyl]cyclohexyl]carbonylamino]hexanoic acid

6-[[4-[2-[2,5-bis(oxidanylidene)-3-sulfanylidene-pyrrolidin-1-yl]-4-oxidanyl-4-oxidanylidene-butyl]cyclohexyl]carbonylamino]hexanoic acid

Systemtic Name:6-[[4-[2-[2,5-bis(oxidanylidene)-3-sulfanylidene-pyrrolidin-1-yl]-4-oxidanyl-4-oxidanylidene-butyl]cyclohexyl]carbonylamino]hexanoic acid
Openeye Name:6-[[4-[2-(2,5-dioxo-3-thioxo-pyrrolidin-1-yl)-4-hydroxy-4-oxo-butyl]cyclohexanecarbonyl]amino]hexanoic acid
CAS Name:6-[[[4-[2-(2,5-dioxo-3-sulfanylidene-1-pyrrolidinyl)-4-hydroxy-4-oxobutyl]cyclohexyl]-oxomethyl]amino]hexanoic acid
IUPAC Name:6-[[4-[2-(2,5-dioxo-3-sulfanylidenepyrrolidin-1-yl)-4-hydroxy-4-oxobutyl]cyclohexanecarbonyl]amino]hexanoic acid
Traditional Name:6-[[4-[2-(2,5-diketo-3-thioxo-pyrrolidino)-4-hydroxy-4-keto-butyl]cyclohexanecarbonyl]amino]hexanoic acid
Formula: C21H30N2O7S
MolecularWeight: 454.5371
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CC(CC(=O)O)N2C(=O)CC(=S)C2=O)C(=O)NCCCCCC(=O)O


Isomeric SMILES

C1CC(CCC1CC(CC(=O)O)N2C(=O)CC(=S)C2=O)C(=O)NCCCCCC(=O)O


InChI

InChI=1S/C21H30N2O7S/c24-17-12-16(31)21(30)23(17)15(11-19(27)28)10-13-5-7-14(8-6-13)20(29)22-9-3-1-2-4-18(25)26/h13-15H,1-12H2,(H,22,29)(H,25,26)(H,27,28)


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