SpOx1_002802

Molecular Formula: C52H41N3O12


InChI: InChI=1/C52H41N3O12/c1-64-38-25-20-32(21-26-38)16-17-33-22-27-41-40(30-33)52(50(60)53(41)51(61)66-31-34-18-23-37(24-19-34)55(62)63)43(48(57)58)45-49(59)67-46(36-12-6-3-7-13-36)44(35-10-4-2-5-11-35)54(45)47(52)39-14-8-9-15-42(39)65-29-28-56/h2-15,18-27,30,43-47,56H,28-29,31H2,1H3,(H,57,58)/t43-,44-,45-,46+,47+,52-/m0/s1/f/h57H

InChIKey: InChIKey=LGPSDZLCPUYULG-FYQJVVMHDA
SMILES: COC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N(C(=O)C34C(C5C(=O)OC(C(N5C4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)O)C(=O)OCC9=CC=C(C=C9)[N+](=O)[O-]

Names:
    SpOx1_002802
    (2R,3S,6S,7R,8S,9S)-9-[2-(2-hydroxyethoxy)phenyl]-5'-[2-(4-methoxyphenyl)ethynyl]-1'-[(4-nitrophenyl)methoxycarbonyl]-2',5-dioxo-2,3-diphenyl-spiro[4-oxa-1-azabicyclo[4.3.0]nonane-8,3'-indole]-7-carboxylic acid

Registries:
    PubChem CID 6731669
    PubChem ID 11498616