848084-84-4

Tigapotide TFA

Synonym(s): PCK 3145 TFA

IUPAC Name: (2S,5S,8S,11R,14S,17R,20S,23S,26R,29S,32S,35S,38S,41S,44S)-41-((1H-indol-3-yl)methyl)-11,17,26-tris(((acetamidomethyl)thio)methyl)-44-amino-29-(2-amino-2-oxoethyl)-38-(3-amino-3-oxopropyl)-5,23-bis(2-carboxyethyl)-32-(carboxymethyl)-8-(4-hydroxybenzyl)-2,14,20,35-tetrakis((R)-1-hydroxyethyl)-4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaazaheptatetracontanedioic acid compound with 2,2,2-trifluoroacetic acid (1:1)

SMILES: C(C(O)=O)(F)(F)F.C([C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC1=CC=C(O)C=C1)C(N[C@H](C(N[C@@H]([C@@H](C)O)C(O)=O)=O)CCC(O)=O)=O)=O)CSCNC(C)=O)=O)[C@@H](C)O)=O)CSCNC(C)=O)=O)[C@@H](C)O)=O)CCC(O)=O)=O)CSCNC(C)=O)=O)CC(N)=O)=O)CC(O)=O)=O)[C@@H](C)O)=O)CCC(N)=O)=O)NC([C@H](CCC(O)=O)N)=O)C=2C=3C(NC2)=CC=CC3