6-azanyl-2-[[6-azanyl-2-[[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]hexanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[6-azanyl-2-[[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]hexanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[6-amino-2-[[2-[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]hexanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[6-amino-2-[[2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxohexyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[6-amino-2-[[2-[2-[(2-amino-4-methylsulfanylbutanoyl)amino]propanoylamino]-3-methylbutanoyl]amino]hexanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[6-amino-2-[[2-[2-[[2-amino-4-(methylthio)butanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]hexanoyl]amino]hexanoic acid Formula: C25H49N7O6S MolecularWeight: 575.76486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H49N7O6S/c1-15(2)20(32-21(33)16(3)29-22(34)17(28)11-14-39-4)24(36)30-18(9-5-7-12-26)23(35)31-19(25(37)38)10-6-8-13-27/h15-20H,5-14,26-28H2,1-4H3,(H,29,34)(H,30,36)(H,31,35)(H,32,33)(H,37,38)