IUPAC Name
acetic acid;(3S,6S,9R,12S)-6-(4-aminobutyl)-12-benzyl-9-(1H-indol-3-ylmethyl)-3-[(1R)-1-phenylmethoxyethyl]-1,4,7,10,13-pentazacycloicosane-2,5,8,11,14-pentone
Synonyms
1,4,7,10,13-Pentaazacycloeicosane-2,5,8,11,14-pentone, 6-(4-aminobutyl)-9-(1H-indol-3-ylmethyl)-3-[(1R)-1-(phenylmethoxy)ethyl]-12-(phenylmethyl)-, acetate (1:1), (3S,6S,9R,12S)-; Cyclo[7-aminoheptanoyl-L-phenylalanyl-D-tryptophyl-L-lysyl-O-(phenylmethyl)-L-threonyl], monoacetate; Cyclo-Somatostatin acetate
Related CAS
84211-54-1 (free base)
Solubility
Soluble in DMSO
InChI
InChI=1S/C44H57N7O6.C2H4O2/c1-30(57-29-32-18-8-5-9-19-32)40-44(56)46-25-15-3-2-10-23-39(52)48-37(26-31-16-6-4-7-17-31)42(54)50-38(27-33-28-47-35-21-12-11-20-34(33)35)43(55)49-36(41(53)51-40)22-13-14-24-45;1-2(3)4/h4-9,11-12,16-21,28,30,36-38,40,47H,2-3,10,13-15,22-27,29,45H2,1H3,(H,46,56)(H,48,52)(H,49,55)(H,50,54)(H,51,53);1H3,(H,3,4)/t30-,36+,37+,38-,40+;/m1./s1
InChI Key
IJKZEUWXCAHBPS-JZXGHADUSA-N
Canonical SMILES
CC(C1C(=O)NCCCCCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)OCC5=CC=CC=C5.CC(=O)O
