0XA

(4S,8E)-4-[(1R)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione


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Chemical Component Summary

Name(4S,8E)-4-[(1R)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione
Identifiers(6E,11S)-11-[(1R)-2-[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-ylamino]-1-oxidanyl-ethyl]-16-methyl-9-oxa-12-azabicyclo[12.3.1]octadeca-1(18),6,14,16-tetraene-2,13-dione
FormulaC29 H41 N3 O5
Molecular Weight511.653
TypeNON-POLYMER
Isomeric SMILESCc1cc2cc(c1)C(=O)N[C@@H](COC/C=C/CCCC2=O)[C@@H](CNC(C)(C)c3ncc(o3)C(C)(C)C)O
InChIInChI=1S/C29H41N3O5/c1-19-13-20-15-21(14-19)26(35)32-22(18-36-12-10-8-7-9-11-23(20)33)24(34)16-31-29(5,6)27-30-17-25(37-27)28(2,3)4/h8,10,13-15,17,22,24,31,34H,7,9,11-12,16,18H2,1-6H3,(H,32,35)/b10-8+/t22-,24+/m0/s1
InChIKeyPYRAVCNCGMDZRY-BDCWSOESSA-N

Chemical Details

Formal Charge0
Atom Count78
Chiral Atom Count2
Bond Count80
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 71677787