OO4

methyl [(1S)-1-cyclopropyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate


Toggle HydrogenToggle Labels

Chemical Component Summary

Namemethyl [(1S)-1-cyclopropyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
Identifiersmethyl ~{N}-[(1~{S})-2-[[(2~{S},3~{S},5~{S})-5-[[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-3-oxidanyl-1,6-diphenyl-hexan-2-yl]amino]-1-cyclopropyl-2-oxidanylidene-ethyl]carbamate
FormulaC32 H41 N3 O8
Molecular Weight595.683
TypeNON-POLYMER
Isomeric SMILESCOC(=O)N[C@@H](C1CC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O
InChIInChI=1S/C32H41N3O8/c1-40-31(38)35-28(22-12-13-22)29(37)34-25(17-21-10-6-3-7-11-21)26(36)18-23(16-20-8-4-2-5-9-20)33-32(39)43-27-19-42-30-24(27)14-15-41-30/h2-11,22-28,30,36H,12-19H2,1H3,(H,33,39)(H,34,37)(H,35,38)/t23-,24-,25-,26-,27-,28-,30+/m0/s1
InChIKeyUAUIISPUXGSUCV-DMVQEWIISA-N

Chemical Details

Formal Charge0
Atom Count84
Chiral Atom Count7
Bond Count88
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 146672947