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

Systemtic Name: 6-azanyl-2-[[2-[(2-methyl-2-sulfanyl-propanoyl)amino]-3-sulfanyl-propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[(2-methyl-2-sulfanyl-propanoyl)amino]-3-sulfanyl-propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[3-mercapto-2-[(2-mercapto-2-methyl-1-oxopropyl)amino]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[3-mercapto-2-[(2-mercapto-2-methyl-propanoyl)amino]propanoyl]amino]hexanoic acid Formula: C13H25N3O4S2 MolecularWeight: 351.4853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N3O4S2/c1-13(2,22)12(20)16-9(7-21)10(17)15-8(11(18)19)5-3-4-6-14/h8-9,21-22H,3-7,14H2,1-2H3,(H,15,17)(H,16,20)(H,18,19)