CHEBI:102965 - (3R,6aR,8S,10aR)-8-[2-(cyclobutylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3R,6aR,8S,10aR)-8-[2-(cyclobutylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
ChEBI ID CHEBI:102965
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H29Cl2N3O5
Net Charge 0
Average Mass 486.389
Monoisotopic Mass 485.14843
InChI InChI=1S/C22H29Cl2N3O5/c23-17-6-4-14(8-18(17)24)26-22(30)27-10-15(28)11-31-12-20-19(27)7-5-16(32-20)9-21(29)25-13-2-1-3-13/h4,6,8,13,15-16,19-20,28H,1-3,5,7,9-12H2,(H,25,29)(H,26,30)/t15-,16+,19-,20+/m1/s1
InChIKey KPSAIAGNOOFEEI-GJJHYRHESA-N
SMILES C1CC(C1)NC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)NC4=CC(=C(C=C4)Cl)Cl)O
ChEBI Ontology
Outgoing (3R,6aR,8S,10aR)-8-[2-(cyclobutylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide (CHEBI:102965) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-14311 LINCS
View more database links