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

Systemtic Name: tert-butyl 2-[[1-[3-(diethylcarbamoylsulfanyl)-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[[1-[3-(diethylcarbamoylsulfanyl)-2-methyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1-[3-[[diethylamino(oxo)methyl]thio]-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-[3-(diethylcarbamoylsulfanyl)-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[1-[3-(diethylcarbamoylthio)-2-methyl-propanoyl]prolyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C27H41N3O5S MolecularWeight: 519.69654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41N3O5S/c1-7-29(8-2)26(34)36-18-19(3)24(32)30-16-12-15-22(30)23(31)28-21(25(33)35-27(4,5)6)17-20-13-10-9-11-14-20/h9-11,13-14,19,21-22H,7-8,12,15-18H2,1-6H3,(H,28,31)