CHEBI:103730 - 1-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

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ChEBI Name 1-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
ChEBI ID CHEBI:103730
Stars This entity has been manually annotated by a third party.
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Formula C30H38N4O4
Net Charge 0
Average Mass 518.648
Monoisotopic Mass 518.28931
InChI InChI=1S/C30H38N4O4/c1-20-17-34(21(2)19-35)29(36)16-23-15-24(32(3)4)13-14-27(23)38-28(20)18-33(5)30(37)31-26-12-8-10-22-9-6-7-11-25(22)26/h6-15,20-21,28,35H,16-19H2,1-5H3,(H,31,37)/t20-,21+,28-/m1/s1
InChIKey LGBCOYKUVBENAF-PHVLTXCSSA-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=CC4=CC=CC=C43)[C@@H](C)CO
ChEBI Ontology
Outgoing 1-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea (CHEBI:103730) is a naphthalenes (CHEBI:25477)
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