2-[2-[[6-azanyl-2-[(2-azanyl-3-oxidanyl-propanoyl)amino]hexanoyl]amino]propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[[6-azanyl-2-[(2-azanyl-3-oxidanyl-propanoyl)amino]hexanoyl]amino]propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[2-[[6-amino-2-[(2-amino-3-hydroxy-propanoyl)amino]hexanoyl]amino]propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[6-amino-2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-1-oxohexyl]amino]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[2-[[6-amino-2-[(2-amino-3-hydroxypropanoyl)amino]hexanoyl]amino]propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[2-[[6-amino-2-[(2-amino-3-hydroxy-propanoyl)amino]hexanoyl]amino]propanoylamino]-4-(methylthio)butyric acid Formula: C17H33N5O6S MolecularWeight: 435.53882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H33N5O6S/c1-10(14(24)22-13(17(27)28)6-8-29-2)20-16(26)12(5-3-4-7-18)21-15(25)11(19)9-23/h10-13,23H,3-9,18-19H2,1-2H3,(H,20,26)(H,21,25)(H,22,24)(H,27,28)