CHEBI:129443 - 1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea

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ChEBI Name 1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea
ChEBI ID CHEBI:129443
Stars This entity has been manually annotated by a third party.
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Formula C23H30N4O4
Net Charge 0
Average Mass 426.510
Monoisotopic Mass 426.22671
InChI InChI=1S/C23H30N4O4/c1-15-13-27(16(2)14-28)22(29)19-11-18(9-10-20(19)31-21(15)12-24-3)26-23(30)25-17-7-5-4-6-8-17/h4-11,15-16,21,24,28H,12-14H2,1-3H3,(H2,25,26,30)/t15-,16-,21+/m0/s1
InChIKey XZCLZSCKQUIJEK-CKJXQJPGSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)O[C@@H]1CNC)[C@@H](C)CO
ChEBI Ontology
Outgoing 1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea (CHEBI:129443) is a ureas (CHEBI:47857)
Manual Xref Database
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