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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N5O5S/c1-8(17)12(21)18-9(2)13(22)20-11(7-26)14(23)19-10(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)