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CHEBI:130587 - 1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

ChEBI IDCHEBI:130587
ChEBI Name1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
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DownloadsMolfile
FormulaC31H39N5O5
Net Charge0
Average Mass561.683
Monoisotopic Mass561.29512
SMILESCC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc1cccc3ccccc13)O2
InChIInChI=1S/C31H39N5O5/c1-19(2)32-30(39)33-23-13-14-27-25(15-23)29(38)36(21(4)18-37)16-20(3)28(41-27)17-35(5)31(40)34-26-12-8-10-22-9-6-7-11-24(22)26/h6-15,19-21,28,37H,16-18H2,1-5H3,(H,34,40)(H2,32,33,39)/t20-,21+,28+/m0/s1
InChIKeyKYHZFTDIMWCHFE-BALWLHIASA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea (CHEBI:130587) is a naphthalenes (CHEBI:25477)
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