tert-butyl N-[3-(cyclohexylmethylsulfanyl)propanoyl-[1-(phenylmethyl)piperidin-4-yl]amino]-N-(4-oxidanylpyrrolidin-2-yl)carbonyl-carbamate

Systemtic Name: tert-butyl N-[3-(cyclohexylmethylsulfanyl)propanoyl-[1-(phenylmethyl)piperidin-4-yl]amino]-N-(4-oxidanylpyrrolidin-2-yl)carbonyl-carbamate Openeye Name: tert-butyl N-[(1-benzyl-4-piperidyl)-[3-(cyclohexylmethylsulfanyl)propanoyl]amino]-N-(4-hydroxypyrrolidine-2-carbonyl)carbamate CAS Name: N-[[3-(cyclohexylmethylthio)-1-oxopropyl]-[1-(phenylmethyl)-4-piperidinyl]amino]-N-[(4-hydroxy-2-pyrrolidinyl)-oxomethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1-benzylpiperidin-4-yl)-[3-(cyclohexylmethylsulfanyl)propanoyl]amino]-N-(4-hydroxypyrrolidine-2-carbonyl)carbamate Traditional Name: N-[(1-benzyl-4-piperidyl)-[3-(cyclohexylmethylthio)propanoyl]amino]-N-(4-hydroxyprolyl)carbamic acid tert-butyl ester Formula: C32H50N4O5S MolecularWeight: 602.8282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(=O)C1CC(CN1)O)N(C2CCN(CC2)CC3=CC=CC=C3)C(=O)CCSCC4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N(C(=O)C1CC(CN1)O)N(C2CCN(CC2)CC3=CC=CC=C3)C(=O)CCSCC4CCCCC4

InChI

InChI=1S/C32H50N4O5S/c1-32(2,3)41-31(40)36(30(39)28-20-27(37)21-33-28)35(29(38)16-19-42-23-25-12-8-5-9-13-25)26-14-17-34(18-15-26)22-24-10-6-4-7-11-24/h4,6-7,10-11,25-28,33,37H,5,8-9,12-23H2,1-3H3