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CHEBI:94090 - (3S,3'S,4'R,6'S,8'R,8'aR)-5-[3-(carbamoylamino)prop-1-ynyl]-6'-[4-(2-hydroxyethoxy)phenyl]-1',2-dioxo-3',4'-diphenyl-N-prop-2-enyl-8'-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxamide

ChEBI IDCHEBI:94090
ChEBI Name(3S,3'S,4'R,6'S,8'R,8'aR)-5-[3-(carbamoylamino)prop-1-ynyl]-6'-[4-(2-hydroxyethoxy)phenyl]-1',2-dioxo-3',4'-diphenyl-N-prop-2-enyl-8'-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxamide
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Last Modified3 March 2016
DownloadsMolfile
FormulaC42H39N5O7
Net Charge0
Average Mass725.802
Monoisotopic Mass725.28495
SMILESC=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCO)cc2)[C@]12C(=O)Nc1ccc(C#CCNC(N)=O)cc12
InChIInChI=1S/C42H39N5O7/c1-2-21-44-38(49)33-35-39(50)54-36(28-13-7-4-8-14-28)34(27-11-5-3-6-12-27)47(35)37(29-16-18-30(19-17-29)53-24-23-48)42(33)31-25-26(10-9-22-45-41(43)52)15-20-32(31)46-40(42)51/h2-8,11-20,25,33-37,48H,1,21-24H2,(H,44,49)(H,46,51)(H3,43,45,52)/t33-,34-,35-,36+,37+,42-/m1/s1
InChIKeyBIYGIVFQXZZINW-GRIBLKTHSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,3'S,4'R,6'S,8'R,8'aR)-5-[3-(carbamoylamino)prop-1-ynyl]-6'-[4-(2-hydroxyethoxy)phenyl]-1',2-dioxo-3',4'-diphenyl-N-prop-2-enyl-8'-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxamide (CHEBI:94090) is a stilbenoid (CHEBI:26776)
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