3-(4-fluorophenyl)-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:124612)

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CHEBI:124612 - 3-(4-fluorophenyl)-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

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ChEBI ID	CHEBI:124612
ChEBI Name	3-(4-fluorophenyl)-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
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Downloads	Molfile

Formula	C31H36FN5O6
Net Charge	0
Average Mass	593.656
Monoisotopic Mass	593.26496
SMILES	COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)O3)cc1
InChI	InChI=1S/C31H36FN5O6/c1-19-16-37(20(2)18-38)29(39)26-15-24(34-30(40)33-22-9-12-25(42-4)13-10-22)11-14-27(26)43-28(19)17-36(3)31(41)35-23-7-5-21(32)6-8-23/h5-15,19-20,28,38H,16-18H2,1-4H3,(H,35,41)(H2,33,34,40)/t19-,20+,28+/m0/s1
InChIKey	VBBZVYJQWSZGED-TWUWCHPWSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-(4-fluorophenyl)-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:124612) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-36054	LINCS