Felypressin Acetate

Product Specifications

CAS Number

914453-97-7

Synonyms

2-L-Phenylalanine-8-L-lysinevasopressin Acetate (Salt); 2,3-Bis(phenylalanine)-8-lysineoxytocin Acetate; 2-(Phenylalanine)-8-lysinevasopressin Acetate; 2-Phenylalanine-8-lysine-vasopressin Acetate; Octapressin Acetate; PLV 2 Acetate; Phelypressin Acetate

Hazard Statement

Not a hazardous substance according to GHS.

Purity

>95% (HPLC)

Smiles

CC(=O)O.NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N2)C(=O)NCC(=O)N

Molecular Formula

C46 H65 N13 O11 S2 . x(C2 H4 O2)

InChI

InChI=1S/C46H65N13O11S2.C2H4O2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34;1-2(3)4/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68);1H3,(H,3,4)/t28-,29-,30-,31-,32-,33-,34-,35-;/m0./s1

Additionnal Information

IUPAC name: acetic acid;(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-13,16-dibenzyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(1S)-5-amino-1-[(2-amino-2-oxo-ethyl)carbamoyl]pentyl]pyrrolidine-2-carboxamide