N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide (CHEBI:111640)

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CHEBI:111640 - N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

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ChEBI ID	CHEBI:111640
ChEBI Name	N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
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Formula	C33H35N5O5
Net Charge	0
Average Mass	581.673
Monoisotopic Mass	581.26382
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H]1CN(C)C(=O)Nc1cccc2ccccc12
InChI	InChI=1S/C33H35N5O5/c1-21-18-38(22(2)20-39)32(41)26-11-7-13-28(35-31(40)24-14-16-34-17-15-24)30(26)43-29(21)19-37(3)33(42)36-27-12-6-9-23-8-4-5-10-25(23)27/h4-17,21-22,29,39H,18-20H2,1-3H3,(H,35,40)(H,36,42)/t21-,22+,29+/m1/s1
InChIKey	UCPVSNSDYZNCRX-BXOOBUKZSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide (CHEBI:111640) is a naphthalenes (CHEBI:25477)

Manual Xrefs	Databases
LSM-23054	LINCS