tert-butyl 2-[[1-(3-butanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[[1-(3-butanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[[1-(3-butanoylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1-[2-methyl-1-oxo-3-(1-oxobutylthio)propyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-(3-butanoylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[1-[3-(butyrylthio)-2-methyl-propanoyl]prolyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C26H38N2O5S MolecularWeight: 490.65532

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)SCC(C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC(=O)SCC(C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H38N2O5S/c1-6-11-22(29)34-17-18(2)24(31)28-15-10-14-21(28)23(30)27-20(25(32)33-26(3,4)5)16-19-12-8-7-9-13-19/h7-9,12-13,18,20-21H,6,10-11,14-17H2,1-5H3,(H,27,30)