6-azanyl-2-[2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]propanoylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]propanoylamino]hexanoic acid Openeye Name: 6-amino-2-[2-[2-[(2-amino-3-sulfanyl-propanoyl)amino]propanoylamino]propanoylamino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxopropyl]amino]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[2-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoylamino]propanoylamino]hexanoic acid Traditional Name: 6-amino-2-[2-[2-[(2-amino-3-mercapto-propanoyl)amino]propanoylamino]propanoylamino]hexanoic acid Formula: C15H29N5O5S MolecularWeight: 391.48626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N5O5S/c1-8(19-14(23)10(17)7-26)12(21)18-9(2)13(22)20-11(15(24)25)5-3-4-6-16/h8-11,26H,3-7,16-17H2,1-2H3,(H,18,21)(H,19,23)(H,20,22)(H,24,25)