Soblidotin

Molecular Formula: C₃₉H₆₇N₅O₆

InChI: InChI=1/C39H67N5O6/c1-13-27(6)35(43(10)39(48)33(25(2)3)41-38(47)34(26(4)5)42(8)9)31(49-11)24-32(45)44-23-17-20-30(44)36(50-12)28(7)37(46)40-22-21-29-18-15-14-16-19-29/h14-16,18-19,25-28,30-31,33-36H,13,17,20-24H2,1-12H3,(H,40,46)(H,41,47)/t27-,28+,30-,31+,33-,34-,35+,36+/m0/s1/f/h40-41H

InChIKey: InChIKey=DZMVCVHATYROOS-FRKLNVJKDR
SMILES: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NCCC2=CC=CC=C2)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C

Names:
    D01919
    Soblidotin (JAN)
    Soblidotin
    (2S)-2-[[(2S)-2-dimethylamino-3-methyl-butanoyl]amino]-N-[(3R,4R,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-(phenethylcarbamoyl)propyl]pyrrolidin-1-yl]-5-methyl-1-oxo-heptan-4-yl]-N,3-dimethyl-butanamide
    149606-27-9

Registries:
    PubChem CID 656607
    PubChem ID 7848981