CHEBI:127024 - 1-[[(2S,3R)-10-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(2S,3R)-10-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
ChEBI ID CHEBI:127024
Stars This entity has been manually annotated by a third party.
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Formula C31H43N5O6
Net Charge 0
Average Mass 581.704
Monoisotopic Mass 581.32133
InChI InChI=1S/C31H43N5O6/c1-20-17-36(21(2)19-37)29(38)25-11-8-12-26(34-30(39)32-22-9-6-5-7-10-22)28(25)42-27(20)18-35(3)31(40)33-23-13-15-24(41-4)16-14-23/h8,11-16,20-22,27,37H,5-7,9-10,17-19H2,1-4H3,(H,33,40)(H2,32,34,39)/t20-,21+,27-/m1/s1
InChIKey SWAMQWMVKYBBNH-PBDKAQRYSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3CCCCC3)O[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)OC)[C@@H](C)CO
ChEBI Ontology
Outgoing 1-[[(2S,3R)-10-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea (CHEBI:127024) is a ureas (CHEBI:47857)
Manual Xref Database
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