CHEBI:128701 - 1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-(propan-2-ylamino)methyl]amino]-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-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
ChEBI ID CHEBI:128701
Stars This entity has been manually annotated by a third party.
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Formula C25H41N5O5
Net Charge 0
Average Mass 491.625
Monoisotopic Mass 491.31077
InChI InChI=1S/C25H41N5O5/c1-15(2)26-24(33)28-20-8-9-21-19(10-20)11-23(32)30(18(6)14-31)12-17(5)22(35-21)13-29(7)25(34)27-16(3)4/h8-10,15-18,22,31H,11-14H2,1-7H3,(H,27,34)(H2,26,28,33)/t17-,18+,22+/m1/s1
InChIKey QUOXJXBRTLYMMS-FGSXEWAUSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@H]1CN(C)C(=O)NC(C)C)[C@@H](C)CO
ChEBI Ontology
Outgoing 1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:128701) is a aromatic ether (CHEBI:35618)
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