CHEBI:101368 - 2-[(2R,4aS,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid

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ChEBI Name 2-[(2R,4aS,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
ChEBI ID CHEBI:101368
Stars This entity has been manually annotated by a third party.
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Formula C23H25N3O6
Net Charge 0
Average Mass 439.462
Monoisotopic Mass 439.17434
InChI InChI=1S/C23H25N3O6/c1-26-18-9-8-16(12-21(27)28)32-20(18)13-31-19-10-7-15(11-17(19)22(26)29)25-23(30)24-14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12-13H2,1H3,(H,27,28)(H2,24,25,30)/t16-,18+,20-/m1/s1
InChIKey HJRBVKTVNLVVPO-IMFGXOCKSA-N
SMILES CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)CC(=O)O
ChEBI Ontology
Outgoing 2-[(2R,4aS,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid (CHEBI:101368) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-12732 LINCS
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