CAS Number
Molecular Formula
C51H68N10O11S2
Product format
Neat
Molecular Weight
1061.28
API Family
Synonyms
Octreotide Impurity 13; (4R, 7S, 10S, 13R, 16S, 19R)-13-((1H-indol-3-yl)methyl)-N-acetyl-19-((R)-2-amino-3-phenylpropanamido)-10-(4-aminobutyl)-16-benzyl-N-((2R, 3R)-1, 3-dihydroxybutan-2-yl)-7-((R)-1-hydroxyethyl)-6, 9, 12, 15, 18-pentaoxo-1, 2-dithia-5, 8, 11, 14 and 17-pentaazacycloicosane-4-carboxamide; 1546983-33-8
Iupac Name
(4R, 7S, 10S, 13R, 16S, 19R)-N-acetyl-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2R, 3R)-1, 3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6, 9, 12, 15, 18-pentaoxo-1, 2-dithia-5, 8, 11, 14 and 17-pentazacycloicosane-4-carboxamide
InChI
InChI=1S/C51H68N10O11S2/c1-29(63)43(26-62)61(31(3)65)51(72)42-28-74-73-27-41(58-45(66)36(53)22-32-14-6-4-7-15-32)49(70)56-39(23-33-16-8-5-9-17-33)47(68)57-40(24-34-25-54-37-19-11-10-18-35(34)37)48(69)55-38(20-12-13-21-52)46(67)60-44(30(2)64)50(71)59-42/h4-11,14-19,25,29-30,36,38-44,54,62-64H,12-13,20-24,26-28,52-53H2,1-3H3,(H,55,69)(H,56,70)(H,57,68)(H,58,66)(H,59,71)(H,60,67)/t29-,30-,36-,38+,39+,40-,41+,42+,43-,44+/m1/s1
