Chemical Name: ((R)-2-((S)-2-((S)-2-((R)-2-((R)-2-((R)-2-acetamido-3-(naphthalen-2-yl)propanamido)-3-(4-chlorophenyl)propanamido)-3-(pyridin-3-yl)propanamido)-3-hydroxypropanamido)-3-(4-hydroxyphenyl)propanamido)-5-ureidopentanoyl)-L-leucyl-L-arginyl-L-prolyl-D-alanine compound with 2,2,2-trifluoroacetic acid (1:1)
Synonym: Cetrorelix Des Amide Impurity ; [D-Ala10-OH]-Cetrorelix
Smiles: O=C(N(CCC1)[C@@H]1C(N[C@H](C)C(O)=O)=O)[C@H](CCCNC(N)=N)NC([C@H](CC(C)C)NC([C@@H](CCCNC(N)=O)NC([C@@H](NC([C@H](CO)NC([C@H](NC([C@H](NC([C@H](NC(C)=O)CC2=CC3=CC=CC=C3C=C2)=O)CC4=CC=C(Cl)C=C4)=O)CC5=CN=CC=C5)=O)=O)CC6=CC=C(O)C=C6)=O)=O)=O.O=C(O)C(F)(F)F
Inchi: InChI=1S/C68H90ClN17O13/c1-38(2)30-51(60(92)80-50(14-8-27-76-67(72)73)66(98)86-29-9-15-56(86)65(97)78-39(3)57(71)89)82-59(91)49(13-7-28-77-68(74)99)79-61(93)53(34-41-19-24-47(88)25-20-41)84-64(96)55(37-87)85-63(95)54(35-43-10-6-26-75-36-43)83-62(94)52(33-40-17-22-46(69)23-18-40)81-58(90)48(70)32-42-16-21-44-11-4-5-12-45(44)31-42/h4-6,10-12,16-26,31,36,38-39,48-56,87-88H,7-9,13-15,27-30,32-35,37,70H2,1-3H3,(H2,71,89)(H,78,97)(H,79,93)(H,80,92)(H,81,90)(H,82,91)(H,83,94)(H,84,96)(H,85,95)(H4,72,73,76)(H3,74,77,99)/t39-,48-,49-,50+,51+,52-,53+,54-,55+,56+/m1/s1