CHEBI:102582 - 2-[(2S,4aR,12aS)-8-[[(cyclopentylamino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclopropylmethyl)acetamide

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ChEBI Name 2-[(2S,4aR,12aS)-8-[[(cyclopentylamino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclopropylmethyl)acetamide
ChEBI ID CHEBI:102582
Stars This entity has been manually annotated by a third party.
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Formula C26H36N4O5
Net Charge 0
Average Mass 484.589
Monoisotopic Mass 484.26857
InChI InChI=1S/C26H36N4O5/c1-30-21-10-9-19(13-24(31)27-14-16-6-7-16)35-23(21)15-34-22-11-8-18(12-20(22)25(30)32)29-26(33)28-17-4-2-3-5-17/h8,11-12,16-17,19,21,23H,2-7,9-10,13-15H2,1H3,(H,27,31)(H2,28,29,33)/t19-,21+,23+/m0/s1
InChIKey OPKRVFTXMKZUJR-XKCSPQBFSA-N
SMILES CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4CCCC4)CC(=O)NCC5CC5
ChEBI Ontology
Outgoing 2-[(2S,4aR,12aS)-8-[[(cyclopentylamino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclopropylmethyl)acetamide (CHEBI:102582) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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