MF: C37H67F6N5O9
MW: 839.9g/mol
IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid;2,2,2-trifluoroacetic acid
Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
InChIKey: FKCOHLNFINRFFR-RROPMPDHSA-N
InChI: InChI=1S/C33H65N5O5.2C2HF3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-29(39)36-27(21-17-19-24-34)31(40)38-30(26(2)3)32(41)37-28(33(42)43)22-18-20-25-35;2*3-2(4,5)1(6)7/h26-28,30H,4-25,34-35H2,1-3H3,(H,36,39)(H,37,41)(H,38,40)(H,42,43);2*(H,6,7)/t27-,28-,30-;;/m0../s1
