3-(4-cyclohexylcyclohexyl)-2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]propanoic acid

Systemtic Name: 3-(4-cyclohexylcyclohexyl)-2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]propanoic acid Openeye Name: 3-(4-cyclohexylcyclohexyl)-2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentanecarbonyl]amino]propanoic acid CAS Name: 3-(4-cyclohexylcyclohexyl)-2-[[[1-[(2-mercapto-3-methyl-1-oxobutyl)amino]cyclopentyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-cyclohexylcyclohexyl)-2-[[1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentanecarbonyl]amino]propanoic acid Traditional Name: 3-(4-cyclohexylcyclohexyl)-2-[[1-[(2-mercapto-3-methyl-butanoyl)amino]cyclopentanecarbonyl]amino]propionic acid Formula: C26H44N2O4S MolecularWeight: 480.70356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1(CCCC1)C(=O)NC(CC2CCC(CC2)C3CCCCC3)C(=O)O)S

Isomeric SMILES

CC(C)C(C(=O)NC1(CCCC1)C(=O)NC(CC2CCC(CC2)C3CCCCC3)C(=O)O)S

InChI

InChI=1S/C26H44N2O4S/c1-17(2)22(33)23(29)28-26(14-6-7-15-26)25(32)27-21(24(30)31)16-18-10-12-20(13-11-18)19-8-4-3-5-9-19/h17-22,33H,3-16H2,1-2H3,(H,27,32)(H,28,29)(H,30,31)