CHEBI:100376 - 2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo(5-thiazolyl)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

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ChEBI Name 2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo(5-thiazolyl)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
ChEBI ID CHEBI:100376
Stars This entity has been manually annotated by a third party.
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Formula C21H23N3O6S
Net Charge 0
Average Mass 445.491
Monoisotopic Mass 445.13076
InChI InChI=1S/C21H23N3O6S/c1-24-15-5-4-13(8-19(25)28-2)30-17(15)10-29-16-6-3-12(7-14(16)21(24)27)23-20(26)18-9-22-11-31-18/h3,6-7,9,11,13,15,17H,4-5,8,10H2,1-2H3,(H,23,26)/t13-,15+,17-/m1/s1
InChIKey UYHAGXSFPLQSEJ-UKPHBRMFSA-N
SMILES CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CN=CS4)CC(=O)OC
ChEBI Ontology
Outgoing 2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo(5-thiazolyl)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester (CHEBI:100376) is a aromatic amide (CHEBI:62733)
2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo(5-thiazolyl)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester (CHEBI:100376) is a thiazoles (CHEBI:48901)
Manual Xref Database
LSM-11751 LINCS
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