Catalog Number:
AG00BF6J
Chemical Name:
Taltobulin trifluoroacetate
CAS Number:
228266-41-9
Molecular Formula:
C29H44F3N3O6
Molecular Weight:
587.6714
MDL Number:
MFCD28385878
IUPAC Name:
(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C27H43N3O4.C2HF3O2/c1-17(2)20(16-18(3)25(33)34)30(10)24(32)22(26(4,5)6)29-23(31)21(28-9)27(7,8)19-14-12-11-13-15-19;3-2(4,5)1(6)7/h11-17,20-22,28H,1-10H3,(H,29,31)(H,33,34);(H,6,7)/b18-16+;/t20-,21-,22-;/m1./s1
InChI Key:
SHWPCKJNFBDPFA-LPWSJWOVSA-N
SMILES:
OC(=O)C(F)(F)F.CN[C@@H](C(c1ccccc1)(C)C)C(=O)N[C@@H](C(C)(C)C)C(=O)N([C@@H](C(C)C)/C=C(/C(=O)O)\C)C
