CHEBI:127408 - 1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
ChEBI ID CHEBI:127408
Stars This entity has been manually annotated by a third party.
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Formula C28H34N4O6S
Net Charge 0
Average Mass 554.660
Monoisotopic Mass 554.21991
InChI InChI=1S/C28H34N4O6S/c1-18-15-32(19(2)17-33)27(34)22-12-8-14-24(30-39(4,36)37)26(22)38-25(18)16-31(3)28(35)29-23-13-7-10-20-9-5-6-11-21(20)23/h5-14,18-19,25,30,33H,15-17H2,1-4H3,(H,29,35)/t18-,19-,25-/m1/s1
InChIKey ZCTHAUMPHRHCFX-MPCDZSKCSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C)O[C@@H]1CN(C)C(=O)NC3=CC=CC4=CC=CC=C43)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea (CHEBI:127408) is a naphthalenes (CHEBI:25477)
Manual Xref Database
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