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

Systemtic Name: 2-[[2-[[2-(ethanoylsulfanylmethyl)cyclohexyl]carbonylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-(acetylsulfanylmethyl)cyclohexanecarbonyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[[2-[(acetylthio)methyl]cyclohexyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-(acetylsulfanylmethyl)cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[(acetylthio)methyl]cyclohexanecarbonyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C25H36N2O5S MolecularWeight: 476.62874

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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)C2CCCCC2CSC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCCC2CSC(=O)C

InChI

InChI=1S/C25H36N2O5S/c1-16(2)13-22(25(31)32)27-24(30)21(14-18-9-5-4-6-10-18)26-23(29)20-12-8-7-11-19(20)15-33-17(3)28/h4-6,9-10,16,19-22H,7-8,11-15H2,1-3H3,(H,26,29)(H,27,30)(H,31,32)