2-[2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-4-methylsulfanyl-butanoyl]amino]propanoylamino]pentanedioic acid

Systemtic Name: 2-[2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-4-methylsulfanyl-butanoyl]amino]propanoylamino]pentanedioic acid Openeye Name: 2-[2-[[2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-4-methylsulfanyl-butanoyl]amino]propanoylamino]pentanedioic acid CAS Name: 2-[[2-[[2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[2-[[2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-4-methylsulfanylbutanoyl]amino]propanoylamino]pentanedioic acid Traditional Name: 2-[2-[[2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-4-(methylthio)butanoyl]amino]propanoylamino]glutaric acid Formula: C18H30N4O9S MolecularWeight: 478.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCSC)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCSC)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C18H30N4O9S/c1-9(15(27)22-12(18(30)31)4-6-14(25)26)20-17(29)11(7-8-32-2)21-16(28)10(19)3-5-13(23)24/h9-12H,3-8,19H2,1-2H3,(H,20,29)(H,21,28)(H,22,27)(H,23,24)(H,25,26)(H,30,31)