CHEBI:128420 - 1-[[(2S,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

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ChEBI Name 1-[[(2S,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
ChEBI ID CHEBI:128420
Stars This entity has been manually annotated by a third party.
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Formula C27H38N4O5
Net Charge 0
Average Mass 498.615
Monoisotopic Mass 498.28422
InChI InChI=1S/C27H38N4O5/c1-18-15-31(19(2)17-32)26(33)14-20-13-22(29(3)4)9-12-24(20)36-25(18)16-30(5)27(34)28-21-7-10-23(35-6)11-8-21/h7-13,18-19,25,32H,14-17H2,1-6H3,(H,28,34)/t18-,19-,25-/m1/s1
InChIKey ATOUFFMQMQIITO-MPCDZSKCSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)C(=O)NC3=CC=C(C=C3)OC)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[[(2S,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea (CHEBI:128420) is a ureas (CHEBI:47857)
Manual Xref Database
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