3-cyclohexyl-1-[[(2S,3R)-10-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:123635)

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CHEBI:123635 - 3-cyclohexyl-1-[[(2S,3R)-10-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

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ChEBI ID	CHEBI:123635
ChEBI Name	3-cyclohexyl-1-[[(2S,3R)-10-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
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Downloads	Molfile

Formula	C30H40FN5O5
Net Charge	0
Average Mass	569.678
Monoisotopic Mass	569.30135
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2O[C@@H]1CN(C)C(=O)NC1CCCCC1
InChI	InChI=1S/C30H40FN5O5/c1-19-16-36(20(2)18-37)28(38)24-10-7-11-25(34-29(39)32-23-14-12-21(31)13-15-23)27(24)41-26(19)17-35(3)30(40)33-22-8-5-4-6-9-22/h7,10-15,19-20,22,26,37H,4-6,8-9,16-18H2,1-3H3,(H,33,40)(H2,32,34,39)/t19-,20+,26-/m1/s1
InChIKey	QHNRKRROJRNDSD-BVFVYWQFSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-cyclohexyl-1-[[(2S,3R)-10-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:123635) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-35077	LINCS