CHEBI:126723 - 1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(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-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
ChEBI ID CHEBI:126723
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)23-14-21(30-39(4,36)37)12-13-25(23)38-26(18)16-31(3)28(35)29-24-11-7-9-20-8-5-6-10-22(20)24/h5-14,18-19,26,30,33H,15-17H2,1-4H3,(H,29,35)/t18-,19+,26-/m0/s1
InChIKey MYLZFEJTJGFFCG-ANSQWYIGSA-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-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea (CHEBI:126723) is a naphthalenes (CHEBI:25477)
Manual Xref Database
LSM-38286 LINCS
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