5-azanyl-2-[[1-(2-methyl-3-propanoylsulfanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[1-(2-methyl-3-propanoylsulfanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[1-(2-methyl-3-propanoylsulfanyl-propanoyl)pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[[1-[2-methyl-1-oxo-3-(1-oxopropylthio)propyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[1-(2-methyl-3-propanoylsulfanylpropanoyl)pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-[[1-[2-methyl-3-(propionylthio)propanoyl]prolyl]amino]valeric acid Formula: C17H27N3O6S MolecularWeight: 401.47778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O6S/c1-3-14(22)27-9-10(2)16(24)20-8-4-5-12(20)15(23)19-11(17(25)26)6-7-13(18)21/h10-12H,3-9H2,1-2H3,(H2,18,21)(H,19,23)(H,25,26)