N-[(2S,4aS,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide (CHEBI:98073)

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CHEBI:98073 - N-[(2S,4aS,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide

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ChEBI ID	CHEBI:98073
ChEBI Name	N-[(2S,4aS,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide
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Last Modified	7 March 2018
Downloads	Molfile

Formula	C28H35N5O5
Net Charge	0
Average Mass	521.618
Monoisotopic Mass	521.26382
SMILES	CN1C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@@H]21
InChI	InChI=1S/C28H35N5O5/c1-33-23-9-8-20(14-26(34)31-15-18-5-3-2-4-6-18)38-25(23)17-37-24-10-7-19(13-21(24)28(33)36)32-27(35)22-16-29-11-12-30-22/h7,10-13,16,18,20,23,25H,2-6,8-9,14-15,17H2,1H3,(H,31,34)(H,32,35)/t20-,23-,25+/m0/s1
InChIKey	KUAQBUHJEIVZQC-GRYUFTJMSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,4aS,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide (CHEBI:98073) is a pyrazines (CHEBI:38314)
	N-[(2S,4aS,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide (CHEBI:98073) is a secondary carboxamide (CHEBI:140325)
	N-[(2S,4aS,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide (CHEBI:98073) is a tertiary carboxamide (CHEBI:140326)

Manual Xrefs	Databases
LSM-9452	LINCS