N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide (CHEBI:111730)

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CHEBI:111730 - N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide

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ChEBI ID	CHEBI:111730
ChEBI Name	N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
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Last Modified	7 March 2018
Downloads	Molfile

Formula	C28H31Cl2N5O4
Net Charge	0
Average Mass	572.493
Monoisotopic Mass	571.17531
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O
InChI	InChI=1S/C28H31Cl2N5O4/c1-17-13-35(18(2)16-36)28(38)20-5-4-6-23(33-27(37)24-12-31-9-10-32-24)26(20)39-25(17)15-34(3)14-19-7-8-21(29)22(30)11-19/h4-12,17-18,25,36H,13-16H2,1-3H3,(H,33,37)/t17-,18+,25+/m0/s1
InChIKey	KGMOSJADCSKDLW-YYULODDRSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide (CHEBI:111730) is a pyrazines (CHEBI:38314)
	N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide (CHEBI:111730) is a secondary carboxamide (CHEBI:140325)
	N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide (CHEBI:111730) is a tertiary carboxamide (CHEBI:140326)

Manual Xrefs	Databases
LSM-23144	LINCS