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

Systemtic Name: 6-azanyl-2-[2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-4-methylsulfanyl-butanoyl]amino]propanoylamino]hexanoic acid Openeye Name: 6-amino-2-[2-[[2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-4-methylsulfanyl-butanoyl]amino]propanoylamino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[2-[[2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-4-methylsulfanylbutanoyl]amino]propanoylamino]hexanoic acid Traditional Name: 6-amino-2-[2-[[2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-4-(methylthio)butanoyl]amino]propanoylamino]hexanoic acid Formula: C19H35N5O7S MolecularWeight: 477.5755

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H35N5O7S/c1-11(16(27)24-14(19(30)31)5-3-4-9-20)22-18(29)13(8-10-32-2)23-17(28)12(21)6-7-15(25)26/h11-14H,3-10,20-21H2,1-2H3,(H,22,29)(H,23,28)(H,24,27)(H,25,26)(H,30,31)