1-[3-[[3-[3-(2-carboxypyrrolidin-1-yl)-2-methyl-3-oxidanylidene-propyl]sulfanyl-2-ethoxycarbonyl-4-oxidanyl-5-oxidanylidene-furan-2-yl]methylsulfanyl]-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-[[3-[3-(2-carboxypyrrolidin-1-yl)-2-methyl-3-oxidanylidene-propyl]sulfanyl-2-ethoxycarbonyl-4-oxidanyl-5-oxidanylidene-furan-2-yl]methylsulfanyl]-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-[[3-[3-(2-carboxypyrrolidin-1-yl)-2-methyl-3-oxo-propyl]sulfanyl-2-ethoxycarbonyl-4-hydroxy-5-oxo-2-furyl]methylsulfanyl]-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-[[3-[[3-(2-carboxy-1-pyrrolidinyl)-2-methyl-3-oxopropyl]thio]-2-ethoxycarbonyl-4-hydroxy-5-oxo-2-furanyl]methylthio]-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-[[3-[3-(2-carboxypyrrolidin-1-yl)-2-methyl-3-oxopropyl]sulfanyl-2-ethoxycarbonyl-4-hydroxy-5-oxofuran-2-yl]methylsulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-[[2-carbethoxy-3-[[3-(2-carboxypyrrolidino)-3-keto-2-methyl-propyl]thio]-4-hydroxy-5-keto-2-furyl]methylthio]-2-methyl-propanoyl]proline Formula: C26H36N2O11S2 MolecularWeight: 616.70084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=C(C(=O)O1)O)SCC(C)C(=O)N2CCCC2C(=O)O)CSCC(C)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CCOC(=O)C1(C(=C(C(=O)O1)O)SCC(C)C(=O)N2CCCC2C(=O)O)CSCC(C)C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C26H36N2O11S2/c1-4-38-25(37)26(13-40-11-14(2)20(30)27-9-5-7-16(27)22(32)33)19(18(29)24(36)39-26)41-12-15(3)21(31)28-10-6-8-17(28)23(34)35/h14-17,29H,4-13H2,1-3H3,(H,32,33)(H,34,35)