CHEBI:100887 - 2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[oxo(propylamino)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid

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ChEBI Name 2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[oxo(propylamino)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid
ChEBI ID CHEBI:100887
Stars This entity has been manually annotated by a third party.
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Formula C15H26N2O6
Net Charge 0
Average Mass 330.377
Monoisotopic Mass 330.17909
InChI InChI=1S/C15H26N2O6/c1-2-5-16-15(21)17-7-10(18)8-22-9-13-12(17)4-3-11(23-13)6-14(19)20/h10-13,18H,2-9H2,1H3,(H,16,21)(H,19,20)/t10-,11-,12-,13+/m0/s1
InChIKey DUBDZBJJIAHCBK-ZDEQEGDKSA-N
SMILES CCCNC(=O)N1C[C@@H](COC[C@@H]2[C@@H]1CC[C@H](O2)CC(=O)O)O
ChEBI Ontology
Outgoing 2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[oxo(propylamino)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid (CHEBI:100887) is a oxanes (CHEBI:46942)
Manual Xref Database
LSM-12261 LINCS
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