tert-butyl 2-[[1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: tert-butyl 2-[[1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: tert-butyl 2-[[1-(3-acetylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[1-[3-(acetylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-(3-acetylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoate Traditional Name: 2-[[1-[3-(acetylthio)-2-methyl-propanoyl]prolyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C21H36N2O5S MolecularWeight: 428.58594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C1CCCN1C(=O)C(C)CSC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C1CCCN1C(=O)C(C)CSC(=O)C

InChI

InChI=1S/C21H36N2O5S/c1-13(2)11-16(20(27)28-21(5,6)7)22-18(25)17-9-8-10-23(17)19(26)14(3)12-29-15(4)24/h13-14,16-17H,8-12H2,1-7H3,(H,22,25)