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

Systemtic Name: 2-[2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-4-methylsulfanyl-butanoyl]amino]propanoylamino]butanedioic acid Openeye Name: 2-[2-[[2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-4-methylsulfanyl-butanoyl]amino]propanoylamino]butanedioic acid CAS Name: 2-[[2-[[2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-[2-[[2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-4-methylsulfanylbutanoyl]amino]propanoylamino]butanedioic acid Traditional Name: 2-[2-[[2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-4-(methylthio)butanoyl]amino]propanoylamino]succinic acid Formula: C17H28N4O9S MolecularWeight: 464.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O9S/c1-8(14(26)21-11(17(29)30)7-13(24)25)19-16(28)10(5-6-31-2)20-15(27)9(18)3-4-12(22)23/h8-11H,3-7,18H2,1-2H3,(H,19,28)(H,20,27)(H,21,26)(H,22,23)(H,24,25)(H,29,30)