CHEBI:124557 - 1-(1,3-benzodioxol-5-yl)-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(1,3-benzodioxol-5-yl)-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
ChEBI ID CHEBI:124557
Stars This entity has been manually annotated by a third party.
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Formula C30H35N5O6
Net Charge 0
Average Mass 561.630
Monoisotopic Mass 561.25873
InChI InChI=1S/C30H35N5O6/c1-19-14-35(20(2)17-36)29(37)23-5-4-6-24(33-30(38)32-22-7-8-25-26(13-22)40-18-39-25)28(23)41-27(19)16-34(3)15-21-9-11-31-12-10-21/h4-13,19-20,27,36H,14-18H2,1-3H3,(H2,32,33,38)/t19-,20+,27-/m0/s1
InChIKey NCLMVBXMEZWKRK-VKIDHGPPSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)O[C@H]1CN(C)CC5=CC=NC=C5)[C@H](C)CO
ChEBI Ontology
Outgoing 1-(1,3-benzodioxol-5-yl)-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea (CHEBI:124557) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
LSM-35999 LINCS
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