tert-butyl 2-[[2-[[2-(ethanoylsulfanylmethyl)cyclohexyl]carbonylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: tert-butyl 2-[[2-[[2-(ethanoylsulfanylmethyl)cyclohexyl]carbonylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate Openeye Name: tert-butyl 2-[[2-[[2-(acetylsulfanylmethyl)cyclohexanecarbonyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-[[[2-[(acetylthio)methyl]cyclohexyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[[2-(acetylsulfanylmethyl)cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-[[2-[(acetylthio)methyl]cyclohexanecarbonyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C29H44N2O5S MolecularWeight: 532.73506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N2O5S/c1-19(2)16-25(28(35)36-29(4,5)6)31-27(34)24(17-21-12-8-7-9-13-21)30-26(33)23-15-11-10-14-22(23)18-37-20(3)32/h7-9,12-13,19,22-25H,10-11,14-18H2,1-6H3,(H,30,33)(H,31,34)