CHEBI:130590 - 1-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
ChEBI ID CHEBI:130590
Stars This entity has been manually annotated by a third party.
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Formula C25H40N4O4
Net Charge 0
Average Mass 460.610
Monoisotopic Mass 460.30496
InChI InChI=1S/C25H40N4O4/c1-16(2)26-25(32)27-21-8-9-22-20(10-21)11-24(31)29(18(4)15-30)12-17(3)23(33-22)14-28(5)13-19-6-7-19/h8-10,16-19,23,30H,6-7,11-15H2,1-5H3,(H2,26,27,32)/t17-,18+,23+/m0/s1
InChIKey UCKREMIJSDYNRS-YZZKKUAISA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H]1CN(C)CC3CC3)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea (CHEBI:130590) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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