Nombre del analito

Lysipressin-d2 Trifluoroacetic Acid Salt

Fórmula molecular

C46H63D2N13O12S2 . x(C 2HF3O2)

Peso molecular

1172.3

SMILES

OC(C(F)(F)F)=O.O=C([C@H](CSSC[C@@H](C(N[C@H]1CC2=CC=C(C=C2)O)=O)N)NC([C@@H](NC([C@@H](NC([C@@H](NC1=O)CC3=CC=CC=C3)=O)CCC(N)=O)=O)CC(N)=O)=O)N4CCC[C@H]4C(N[C@H](C(NC([2H])(C(N)=O)[2H])=O)CCCCN)=O

InChI

InChI=1S/C46H65N13O12S2.C2HF3O2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34;3-2(4,5)1(6)7/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69);(H,6,7)/t28-,29-,30-,31-,32-,33-,34-,35-;/m0./s1/i22D2;

IUPAC

(S)-N-((S)-6-amino-1-((2-amino-2-oxoethyl-1,1-d2)amino)-1-oxohexan-2-yl)-1-((4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamide 2,2,2-trifluoroacetate

Número CAS sin etiquetar

50-57-7

Tipo SIL

Deuterium

Temperatura de almacenamiento

+4°C

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat