CHEBI:101334 - 3-(4-chlorophenyl)-1-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(4-chlorophenyl)-1-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methylurea
ChEBI ID CHEBI:101334
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H33Cl2N3O3
Net Charge 0
Average Mass 482.444
Monoisotopic Mass 481.18990
InChI InChI=1S/C24H33Cl2N3O3/c1-17(13-29(18(2)16-30)14-19-7-5-6-8-22(19)26)23(32-4)15-28(3)24(31)27-21-11-9-20(25)10-12-21/h5-12,17-18,23,30H,13-16H2,1-4H3,(H,27,31)/t17-,18+,23-/m1/s1
InChIKey REZGKQRSIIUNQT-IEGUWTFLSA-N
SMILES C[C@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)C(=O)NC2=CC=C(C=C2)Cl)OC
ChEBI Ontology
Outgoing 3-(4-chlorophenyl)-1-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methylurea (CHEBI:101334) is a ureas (CHEBI:47857)
Manual Xref Database
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