SpOx1_002803
Molecular Formula:
C51H47N3O11
InChI: InChI=1/C51H47N3O11/c1-30(2)41(47(58)63-4)52-50(61)53-38-26-23-32(20-19-31-21-24-35(62-3)25-22-31)29-37(38)51(49(53)60)40(46(56)57)43-48(59)65-44(34-15-9-6-10-16-34)42(33-13-7-5-8-14-33)54(43)45(51)36-17-11-12-18-39(36)64-28-27-55/h5-18,21-26,29-30,40-45,55H,27-28H2,1-4H3,(H,52,61)(H,56,57)/t40-,41-,42-,43-,44+,45+,51-/m0/s1/f/h52,56H
InChIKey: InChIKey=HPTDBGAVLPBJHQ-HMFJGCRMDB
SMILES: CC(C)C(C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CC3=CC=C(C=C3)OC)C4(C1=O)C(C5C(=O)OC(C(N5C4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)O
Names:
SpOx1_002803
(2R,3S,6S,7R,8S,9S)-9-[2-(2-hydroxyethoxy)phenyl]-1'-[[(1S)-1-methoxycarbonyl-2-methyl-propyl]carbamoyl]-5'-[2-(4-methoxyphenyl)ethynyl]-2',5-dioxo-2,3-diphenyl-spiro[4-oxa-1-azabicyclo[4.3.0]nonane-8,3'-indole]-7-carboxylic acid
Registries:
PubChem CID 6731670
PubChem ID 11498617
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