CHEBI:117947 - 2-[(2S,3R,6R)-3-[[(4-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide

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ChEBI Name 2-[(2S,3R,6R)-3-[[(4-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide
ChEBI ID CHEBI:117947
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H29FN4O4
Net Charge 0
Average Mass 420.479
Monoisotopic Mass 420.21728
InChI InChI=1S/C21H29FN4O4/c22-15-3-5-16(6-4-15)24-21(29)25-18-8-7-17(30-19(18)14-27)13-20(28)23-9-12-26-10-1-2-11-26/h3-8,17-19,27H,1-2,9-14H2,(H,23,28)(H2,24,25,29)/t17-,18+,19+/m0/s1
InChIKey JFCILRCMDYZKAM-IPMKNSEASA-N
SMILES C1CCN(C1)CCNC(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NC(=O)NC3=CC=C(C=C3)F
ChEBI Ontology
Outgoing 2-[(2S,3R,6R)-3-[[(4-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide (CHEBI:117947) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-29396 LINCS
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