CHEBI:124396 - 1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

ChEBI IDCHEBI:124396
ChEBI Name1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
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DownloadsMolfile
FormulaC31H39N5O5
Net Charge0
Average Mass561.683
Monoisotopic Mass561.29512
SMILESCC(C)NC(=O)N(C)C[C@@H]1Oc2c(NC(=O)Nc3cccc4ccccc34)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C31H39N5O5/c1-19(2)32-31(40)35(5)17-27-20(3)16-36(21(4)18-37)29(38)24-13-9-15-26(28(24)41-27)34-30(39)33-25-14-8-11-22-10-6-7-12-23(22)25/h6-15,19-21,27,37H,16-18H2,1-5H3,(H,32,40)(H2,33,34,39)/t20-,21+,27-/m0/s1
InChIKeyMWRGLXXMTKHKJE-ISCCLHIJSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:124396) is a naphthalenes (CHEBI:25477)
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