1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea (CHEBI:129078)

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CHEBI:129078 - 1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea

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ChEBI ID	CHEBI:129078
ChEBI Name	1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea
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Downloads	Molfile

Formula	C33H37N5O4
Net Charge	0
Average Mass	567.690
Monoisotopic Mass	567.28455
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@H]1CN(C)Cc1ccncc1
InChI	InChI=1S/C33H37N5O4/c1-22-18-38(23(2)21-39)32(40)28-17-26(35-33(41)36-29-10-6-8-25-7-4-5-9-27(25)29)11-12-30(28)42-31(22)20-37(3)19-24-13-15-34-16-14-24/h4-17,22-23,31,39H,18-21H2,1-3H3,(H2,35,36,41)/t22-,23+,31+/m1/s1
InChIKey	VJMXJNGUWGEFKS-UDKTZTBJSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea (CHEBI:129078) is a naphthalenes (CHEBI:25477)

Manual Xrefs	Databases
LSM-40630	LINCS