G55

(5R)-1,3-dioxepan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate


Toggle HydrogenToggle Labels

Chemical Component Summary

Name(5R)-1,3-dioxepan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate
Identifiers[(5R)-1,3-dioxepan-5-yl] N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-butan-2-yl]carbamate
FormulaC27 H38 N2 O8 S
Molecular Weight550.664
TypeNON-POLYMER
Isomeric SMILESCC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2CCOCOC2)O)S(=O)(=O)c3ccc(cc3)OC
InChIInChI=1S/C27H38N2O8S/c1-20(2)16-29(38(32,33)24-11-9-22(34-3)10-12-24)17-26(30)25(15-21-7-5-4-6-8-21)28-27(31)37-23-13-14-35-19-36-18-23/h4-12,20,23,25-26,30H,13-19H2,1-3H3,(H,28,31)/t23-,25+,26-/m1/s1
InChIKeyLEJNWIFUYPPOMU-DMTNHVFBSA-N

Chemical Details

Formal Charge0
Atom Count76
Chiral Atom Count3
Bond Count78
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 24916750
ChEMBL CHEMBL492254