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

Systemtic Name: tert-butyl 2-[[1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[[1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[1-(3-mercapto-2-methyl-propanoyl)prolyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O4S/c1-15(14-29)20(26)24-12-8-11-18(24)19(25)23-17(21(27)28-22(2,3)4)13-16-9-6-5-7-10-16/h5-7,9-10,15,17-18,29H,8,11-14H2,1-4H3,(H,23,25)