[deamino-Cys1, Val4, D-Arg8]-Vasopressin TFA Salt

• Hazard Statement:

  Not a hazardous substance according to GHS.

• Smiles:

  CC(C)[C@H]1C(N[C@H](C(N[C@@H](CSSCCC(N[C@H](C(N[C@H](C(N1)=O)CC2=CC=CC=C2)=O)C)=O)C(N3CCC[C@H]3C(N[C@H](CCC/N=C(N)\N)C(NCC(N)=O)=O)=O)=O)=O)CC(N)=O)=O.FC(F)(C(O)=O)F

• Molecular Formula:

  C46H65N13O11S2 • x(C2HF3O2)

• InChI:

  InChI=1S/C46H65N13O11S2.C2HF3O2/c1-25(2)38-44(69)56-32(22-35(47)61)41(66)57-33(45(70)59-18-7-11-34(59)43(68)54-29(10-6-17-51-46(49)50)39(64)52-23-36(48)62)24-72-71-19-16-37(63)53-30(21-27-12-14-28(60)15-13-27)40(65)55-31(42(67)58-38)20-26-8-4-3-5-9-26;3-2(4,5)1(6)7/h3-5,8-9,12-15,25,29-34,38,60H,6-7,10-11,16-24H2,1-2H3,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,67)(H4,49,50,51);(H,6,7)/t29-,30+,31+,32+,33+,34+,38+;/m1./s1

• Additionnal Information:

  IUPAC name: (S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-(4-hydroxybenzyl)-10-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-N-((R)-1-((2-amino-2-oxoethyl)amino)-5-((diaminomethylene)amino)-1-oxopentan-2-yl)pyrrolidine-2-carboxamide2,2,2-trifluoroacetic acid

• Shipping Conditions:

  Room Temperature

• Storage Conditions:

  -20°C