CAS Number
Molecular Formula
C63H87N13O19S2
Product format
Neat
Molecular Weight
1394.58
API Family
Synonyms
Pentetreotide; DTPA-SMS; 138661-02-6; SDZ 215-811s; (-)-pentetoreotide; G083B71P98; DTXSID001027431; SDZ-215-811S; SDZ-215811; L-Cysteinamide, N-(2-((2-(bis(carboxymethyl)amino)ethyl)(carboxymethyl)amino)ethyl)-N-(carboxymethyl)glycyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic (3-8)-disulfide, (R-, (R*, R*))-; pentetreotidum; Pentetreotida; RefChem:860057; V09IB01; DTXCID201511595; 2-(2-((2-(((2R)-1-(((4R, 7S, 10S, 13R, 16S, 19R)-10-(4-aminobutyl)-16-benzyl-4-(((2R, 3R)-1, 3-dihydroxybutan-2-yl)carbamoyl)-7-((1R)-1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6, 9, 12, 15, 18-pentaoxo-1, 2-dithia-5, 8, 11, 14, 17-pentazacycloicos-19-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-2-oxoethyl)-(carboxymethyl)amino)ethyl-(2-(bis(carboxymethyl)amino)ethyl)amino)acetic acid; Pentetoreotide; N-(2-((2-(Bis(carboxymethyl)amino)ethyl)(carboxymethyl)amino)ethyl)-N-(carboxymethyl)glycyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R and 2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (3-8)-disulfide; DTPA-octreotide; Pentetreotide [INN:BAN]
Iupac Name
2-[2-[[2-[[(2R)-1-[[(4R, 7S, 10S, 13R, 16S, 19R)-10-(4-aminobutyl)-16-benzyl-4-[[(2R, 3R)-1, 3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6, 9, 12, 15, 18-pentaoxo-1, 2-dithia-5, 8, 11, 14 and 17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
InChI
InChI=1S/C63H87N13O19S2/c1-37(78)48(34-77)70-62(94)50-36-97-96-35-49(71-58(90)45(25-39-13-5-3-6-14-39)66-51(80)29-75(31-53(83)84)23-21-74(30-52(81)82)22-24-76(32-54(85)86)33-55(87)88)61(93)68-46(26-40-15-7-4-8-16-40)59(91)69-47(27-41-28-65-43-18-10-9-17-42(41)43)60(92)67-44(19-11-12-20-64)57(89)73-56(38(2)79)63(95)72-50/h3-10,13-18,28,37-38,44-50,56,65,77-79H,11-12,19-27,29-36,64H2,1-2H3,(H,66,80)(H,67,92)(H,68,93)(H,69,91)(H,70,94)(H,71,90)(H,72,95)(H,73,89)(H,81,82)(H,83,84)(H,85,86)(H,87,88)/t37-,38-,44+,45-,46+,47-,48-,49+,50+,56+/m1/s1
