CAS Number
Molecular Formula
C45H59N9O8S2
Product format
Neat
Molecular Weight
918.14
API Family
Synonyms
1546983-18-9; (Cysteinol7 and des-L-threoninol8)-Octreotide acetate salt
Iupac Name
acetic acid;(2R)-2-amino-N-[(4R, 7R, 13R, 16S, 19R)-10-(4-aminobutyl)-16-benzyl-7-[(1R)-1-hydroxyethyl]-4-(hydroxymethyl)-13-(1H-indol-3-ylmethyl)-6, 9, 12, 15, 18-pentaoxo-1, 2-dithia-5, 8, 11, 14 and 17-pentazacycloicos-19-yl]-3-phenylpropanamide
InChI
InChI=1S/C45H59N9O8S2.C2H4O2/c1-27(56)39-45(62)49-31(24-55)25-63-64-26-38(53-40(57)33(47)20-28-12-4-2-5-13-28)44(61)51-36(21-29-14-6-3-7-15-29)42(59)52-37(22-30-23-48-34-17-9-8-16-32(30)34)43(60)50-35(41(58)54-39)18-10-11-19-46;1-2(3)4/h2-9,12-17,23,27,31,33,35-39,48,55-56H,10-11,18-22,24-26,46-47H2,1H3,(H,49,62)(H,50,60)(H,51,61)(H,52,59)(H,53,57)(H,54,58);1H3,(H,3,4)/t27-,31-,33-,35?,36+,37-,38+,39-;/m1./s1
