2-[[1-(2-methyl-3-propanoylsulfanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[1-(2-methyl-3-propanoylsulfanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]butanedioic acid Openeye Name: 2-[[1-(2-methyl-3-propanoylsulfanyl-propanoyl)pyrrolidine-2-carbonyl]amino]butanedioic acid CAS Name: 2-[[[1-[2-methyl-1-oxo-3-(1-oxopropylthio)propyl]-2-pyrrolidinyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[1-(2-methyl-3-propanoylsulfanylpropanoyl)pyrrolidine-2-carbonyl]amino]butanedioic acid Traditional Name: 2-[[1-[2-methyl-3-(propionylthio)propanoyl]prolyl]amino]succinic acid Formula: C16H24N2O7S MolecularWeight: 388.43596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCC(C)C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)SCC(C)C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H24N2O7S/c1-3-13(21)26-8-9(2)15(23)18-6-4-5-11(18)14(22)17-10(16(24)25)7-12(19)20/h9-11H,3-8H2,1-2H3,(H,17,22)(H,19,20)(H,24,25)