11-[2-[(2-methyl-2-sulfanyl-propanoyl)amino]ethyl-(2-methyl-2-sulfanyl-propyl)amino]undecanoic acid

Systemtic Name: 11-[2-[(2-methyl-2-sulfanyl-propanoyl)amino]ethyl-(2-methyl-2-sulfanyl-propyl)amino]undecanoic acid Openeye Name: 11-[2-[(2-methyl-2-sulfanyl-propanoyl)amino]ethyl-(2-methyl-2-sulfanyl-propyl)amino]undecanoic acid CAS Name: 11-[2-[(2-mercapto-2-methyl-1-oxopropyl)amino]ethyl-(2-mercapto-2-methylpropyl)amino]undecanoic acid IUPAC Name: 11-[2-[(2-methyl-2-sulfanylpropanoyl)amino]ethyl-(2-methyl-2-sulfanylpropyl)amino]undecanoic acid Traditional Name: 11-[2-[(2-mercapto-2-methyl-propanoyl)amino]ethyl-(2-mercapto-2-methyl-propyl)amino]undecanoic acid Formula: C21H42N2O3S2 MolecularWeight: 434.69978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN(CCCCCCCCCCC(=O)O)CCNC(=O)C(C)(C)S)S

Isomeric SMILES

CC(C)(CN(CCCCCCCCCCC(=O)O)CCNC(=O)C(C)(C)S)S

InChI

InChI=1S/C21H42N2O3S2/c1-20(2,27)17-23(16-14-22-19(26)21(3,4)28)15-12-10-8-6-5-7-9-11-13-18(24)25/h27-28H,5-17H2,1-4H3,(H,22,26)(H,24,25)