DIOX2_011053

Molecular Formula: C₃₆H₄₂N₄O₇

InChI: InChI=1/C36H42N4O7/c1-24-30(21-39-18-16-36(17-19-39)35(45)37-23-40(36)29-8-3-2-4-9-29)46-34(47-33(24)26-12-10-25(22-41)11-13-26)27-6-5-7-28(20-27)38-31(42)14-15-32(43)44/h2-13,20,24,30,33-34,41H,14-19,21-23H2,1H3,(H,37,45)(H,38,42)(H,43,44)/t24-,30+,33+,34+/m1/s1/f/h37-38,43H

InChIKey: InChIKey=KNPGXROYPVFJGD-XLDCAPNNDD
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)CCC(=O)O)CN4CCC5(CC4)C(=O)NCN5C6=CC=CC=C6

Names:
    DIOX2_011053
    3-[[3-[(2S,4S,5S,6S)-4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-1,3-dioxan-2-yl]phenyl]carbamoyl]propanoic acid

Registries:
    PubChem CID 6692565
    PubChem ID 11318052