CHEBI:95447 - N-[(2R,4aR,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]-2-pyrazinecarboxamide

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ChEBI Name N-[(2R,4aR,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]-2-pyrazinecarboxamide
ChEBI ID CHEBI:95447
Stars This entity has been manually annotated by a third party.
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Formula C28H35N5O5
Net Charge 0
Average Mass 521.609
Monoisotopic Mass 521.26382
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-/m1/s1
InChIKey KUAQBUHJEIVZQC-QFZRFWILSA-N
SMILES CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=NC=CN=C4)CC(=O)NCC5CCCCC5
ChEBI Ontology
Outgoing N-[(2R,4aR,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]-2-pyrazinecarboxamide (CHEBI:95447) is a pyrazines (CHEBI:38314)
N-[(2R,4aR,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]-2-pyrazinecarboxamide (CHEBI:95447) is a secondary carboxamide (CHEBI:140325)
N-[(2R,4aR,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]-2-pyrazinecarboxamide (CHEBI:95447) is a tertiary carboxamide (CHEBI:140326)
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Last Modified
07 March 2018