Analyte Name

N-Acetyl-8-L-arginine-vasopressin

CAS Number

38106-69-3

Molecular Formula

C48H67N15O13S2

Molecular Weight

1126.28

Accurate Mass

1125.45

SMILES

O=C([C@@H](CSSC[C@@H](C(N[C@@H]1CC2=CC=C(C=C2)O)=O)NC(C)=O)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(NCC(N)=O)=O)CCCNC(N)=N)=O

InChI

InChI=1S/C48H67N15O13S2/c1-25(64)56-34-23-77-78-24-35(47(76)63-18-6-10-36(63)46(75)58-29(9-5-17-54-48(52)53)40(69)55-22-39(51)68)62-44(73)33(21-38(50)67)61-41(70)30(15-16-37(49)66)57-42(71)31(19-26-7-3-2-4-8-26)59-43(72)32(60-45(34)74)20-27-11-13-28(65)14-12-27/h2-4,7-8,11-14,29-36,65H,5-6,9-10,15-24H2,1H3,(H2,49,66)(H2,50,67)(H2,51,68)(H,55,69)(H,56,64)(H,57,71)(H,58,75)(H,59,72)(H,60,74)(H,61,70)(H,62,73)(H4,52,53,54)/t29-,30+,31-,32+,33+,34-,35+,36-/m0/s1

IUPAC

(S)-1-((4S,7R,10R,13S,16R,19R)-19-Acetamido-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)-N-((S)-1-((2-amino-2-oxoethyl)amino)-5-guanidino-1-oxopentan-2-yl)pyrrolidine-2-carboxamide

Country of Origin

CANADA

Product Format

Neat