2-(dimethylamino)-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide (CHEBI:106159)

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CHEBI:106159 - 2-(dimethylamino)-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide

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ChEBI ID	CHEBI:106159
ChEBI Name	2-(dimethylamino)-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide
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Formula	C26H33N5O4
Net Charge	0
Average Mass	479.581
Monoisotopic Mass	479.25325
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)CN(C)C)Oc2ncc(C#Cc3cccnc3)cc2C1=O
InChI	InChI=1S/C26H33N5O4/c1-18-14-31(19(2)17-32)26(34)22-11-21(9-8-20-7-6-10-27-12-20)13-28-25(22)35-23(18)15-30(5)24(33)16-29(3)4/h6-7,10-13,18-19,23,32H,14-17H2,1-5H3/t18-,19+,23+/m0/s1
InChIKey	ATGVLJGFQJXEPR-YCRNBWNJSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-(dimethylamino)-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide (CHEBI:106159) has functional parent α-amino acid (CHEBI:33704)
	2-(dimethylamino)-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide (CHEBI:106159) is a organonitrogen compound (CHEBI:35352)
	2-(dimethylamino)-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide (CHEBI:106159) is a organooxygen compound (CHEBI:36963)

Manual Xrefs	Databases
LSM-17520	LINCS