(2S)-2-[[(2S)-3-carbamoyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(2,3-dihexadecanoyloxypropylsulfanyl)-2-(hexadecanoylamino)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]amino]propanoic acid

Molecular Formula: C67H124N6O14S


InChI: InChI=1/C67H124N6O14S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-60(77)70-58(66(83)73-57(49-75)65(82)72-56(48-74)64(81)71-55(47-59(68)76)63(80)69-53(4)67(84)85)52-88-51-54(87-62(79)46-43-40-37-34-31-28-25-22-19-16-13-10-7-3)50-86-61(78)45-42-39-36-33-30-27-24-21-18-15-12-9-6-2/h53-58,74-75H,5-52H2,1-4H3,(H2,68,76)(H,69,80)(H,70,77)(H,71,81)(H,72,82)(H,73,83)(H,84,85)/t53-,54?,55-,56-,57-,58-/m0/s1/f/h69-73,84H,68H2

InChIKey: InChIKey=LXPAYSRLFXJBQQ-WJAGXJEBDT
SMILES: CCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)O

Names:
    (2S)-2-[[(2S)-3-carbamoyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(2,3-dihexadecanoyloxypropylsulfanyl)-2-(hexadecanoylamino)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]amino]propanoic acid

Registries:
    PubChem CID 135889
    PubChem ID 10244086