CHEBI:103198 - (3R,6aS,8S,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

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ChEBI Name (3R,6aS,8S,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
ChEBI ID CHEBI:103198
Stars This entity has been manually annotated by a third party.
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Formula C21H32N4O6
Net Charge 0
Average Mass 436.503
Monoisotopic Mass 436.23218
InChI InChI=1S/C21H32N4O6/c1-12-20(13(2)31-24-12)23-21(28)25-9-15(26)10-29-11-18-17(25)6-5-16(30-18)7-19(27)22-8-14-3-4-14/h14-18,26H,3-11H2,1-2H3,(H,22,27)(H,23,28)/t15-,16+,17+,18-/m1/s1
InChIKey XOXZVIQHUYDNGA-VSZNYVQBSA-N
SMILES CC1=C(C(=NO1)C)NC(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4CC4)O
ChEBI Ontology
Outgoing (3R,6aS,8S,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide (CHEBI:103198) is a oxanes (CHEBI:46942)
Manual Xref Database
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