Concept information
Preferred term
2 [(3S,6aR,8R,10aR) 3 hydroxy 1 (4 methoxyphenyl)sulfonyl 3,4,6,6a,8,9,10,10a octahydro 2H pyrano[2,3 c][1,5]oxazocin 8 yl] N [(3Radio)
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C29H39N3O7S
inchi
- InChI=1S/C29H39N3O7S/c1-37-24-7-10-26(11-8-24)40(35,36)32-18-23(33)19-38-20-28-27(32)12-9-25(39-28)15-29(34)30-22-13-14-31(17-22)16-21-5-3-2-4-6-21/h2-8,10-11,22-23,25,27-28,33H,9,12-20H2,1H3,(H,30,34)/t22-,23+,25-,27-,28+/m1/s1
inchikey
- IXXIZSABFJAVRH-GGPXUCSVSA-N
mass
- 573.703
monoisotopicmass
- 573.25087
smiles
- COC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5)O
subset
- 2_STAR
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:97502
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