4-methyl-2-[[3-phenyl-2-[[2-(sulfanylmethyl)cyclohexyl]carbonylamino]propanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[3-phenyl-2-[[2-(sulfanylmethyl)cyclohexyl]carbonylamino]propanoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[3-phenyl-2-[[2-(sulfanylmethyl)cyclohexanecarbonyl]amino]propanoyl]amino]pentanoic acid CAS Name: 2-[[2-[[[2-(mercaptomethyl)cyclohexyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: 4-methyl-2-[[3-phenyl-2-[[2-(sulfanylmethyl)cyclohexanecarbonyl]amino]propanoyl]amino]pentanoic acid Traditional Name: 2-[[2-[[2-(mercaptomethyl)cyclohexanecarbonyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C23H34N2O4S MolecularWeight: 434.59206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCCC2CS

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCCC2CS

InChI

InChI=1S/C23H34N2O4S/c1-15(2)12-20(23(28)29)25-22(27)19(13-16-8-4-3-5-9-16)24-21(26)18-11-7-6-10-17(18)14-30/h3-5,8-9,15,17-20,30H,6-7,10-14H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)