1-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea (CHEBI:125807)

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CHEBI:125807 - 1-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea

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ChEBI ID	CHEBI:125807
ChEBI Name	1-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
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Formula	C21H34N4O4
Net Charge	0
Average Mass	406.527
Monoisotopic Mass	406.25801
SMILES	CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C)O2
InChI	InChI=1S/C21H34N4O4/c1-13(2)22-21(28)23-16-7-8-18-17(9-16)20(27)25(15(4)12-26)10-14(3)19(29-18)11-24(5)6/h7-9,13-15,19,26H,10-12H2,1-6H3,(H2,22,23,28)/t14-,15-,19+/m1/s1
InChIKey	KULYSGMCKHFPFK-CLCXKQKWSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea (CHEBI:125807) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-37375	LINCS