CHEBI:124625 - 1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
ChEBI ID CHEBI:124625
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H41N5O6
Net Charge 0
Average Mass 555.667
Monoisotopic Mass 555.30568
InChI InChI=1S/C29H41N5O6/c1-18(2)30-29(38)33(5)16-26-19(3)15-34(20(4)17-35)27(36)14-21-13-23(9-12-25(21)40-26)32-28(37)31-22-7-10-24(39-6)11-8-22/h7-13,18-20,26,35H,14-17H2,1-6H3,(H,30,38)(H2,31,32,37)/t19-,20+,26+/m0/s1
InChIKey QVUYTBQNGWGTGS-OUDXUNEISA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@@H]1CN(C)C(=O)NC(C)C)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:124625) is a ureas (CHEBI:47857)
Manual Xref Database
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