CHEBI:130687 - 1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
ChEBI ID CHEBI:130687
Stars This entity has been manually annotated by a third party.
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Formula C29H36N4O6S
Net Charge 0
Average Mass 568.687
Monoisotopic Mass 568.23556
InChI InChI=1S/C29H36N4O6S/c1-19-16-33(20(2)18-34)28(35)15-22-14-23(31-40(4,37)38)12-13-26(22)39-27(19)17-32(3)29(36)30-25-11-7-9-21-8-5-6-10-24(21)25/h5-14,19-20,27,31,34H,15-18H2,1-4H3,(H,30,36)/t19-,20-,27-/m0/s1
InChIKey PFQWGWQENUDDJX-OSOCVKALSA-N
SMILES C[C@H]1CN(C(=O)CC2=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-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea (CHEBI:130687) is a naphthalenes (CHEBI:25477)
Manual Xref Database
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