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

Systemtic Name: tert-butyl 2-[[1-[2-methyl-3-(2-methylpropanoylsulfanyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[[1-[2-methyl-3-(2-methylpropanoylsulfanyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1-[2-methyl-3-[(2-methyl-1-oxopropyl)thio]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-[2-methyl-3-(2-methylpropanoylsulfanyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[1-[3-(isobutyrylthio)-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:

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

Isomeric SMILES

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

InChI

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