3-(1H-imidazol-5-yl)-2-[[1-(2-methyl-3-propanoylsulfanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[[1-(2-methyl-3-propanoylsulfanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[[1-(2-methyl-3-propanoylsulfanyl-propanoyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[[1-[2-methyl-1-oxo-3-(1-oxopropylthio)propyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[[1-(2-methyl-3-propanoylsulfanylpropanoyl)pyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[[1-[2-methyl-3-(propionylthio)propanoyl]prolyl]amino]propionic acid Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCC(C)C(=O)N1CCCC1C(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

CCC(=O)SCC(C)C(=O)N1CCCC1C(=O)NC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C18H26N4O5S/c1-3-15(23)28-9-11(2)17(25)22-6-4-5-14(22)16(24)21-13(18(26)27)7-12-8-19-10-20-12/h8,10-11,13-14H,3-7,9H2,1-2H3,(H,19,20)(H,21,24)(H,26,27)