1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea (CHEBI:130602)

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CHEBI:130602 - 1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea

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ChEBI ID	CHEBI:130602
ChEBI Name	1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-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)Nc1cccc2c1O[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)C2=O
InChI	InChI=1S/C21H34N4O4/c1-13(2)22-21(28)23-17-9-7-8-16-19(17)29-18(11-24(5)6)14(3)10-25(20(16)27)15(4)12-26/h7-9,13-15,18,26H,10-12H2,1-6H3,(H2,22,23,28)/t14-,15-,18+/m0/s1
InChIKey	IJQLDHZDAZBKMH-RLFYNMQTSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea (CHEBI:130602) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-42151	LINCS