CHEBI:100943 - 2-[(3S,6aS,8R,10aS)-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-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide

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ChEBI Name 2-[(3S,6aS,8R,10aS)-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-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
ChEBI ID CHEBI:100943
Stars This entity has been manually annotated by a third party.
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Formula C29H39N3O7S
Net Charge 0
Average Mass 573.703
Monoisotopic Mass 573.25087
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+/m0/s1
InChIKey IXXIZSABFJAVRH-UNYYBDMVSA-N
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
ChEBI Ontology
Outgoing 2-[(3S,6aS,8R,10aS)-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-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide (CHEBI:100943) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-12316 LINCS
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