Ganirelix Impurity A

Ganirelix Impurity A

• Synonyms: (2R)”N”(1”{[(2S)”1”(2”{[(1S)”1”carbamoylethyl]carbamoyl}pyrrolidin”1”yl)”6”[(E)”1,2”diethylcarbamimidamido]”1”oxohexan”2”yl]carbamoyl}”3”methylbutyl)”2”[(2S)”2”[(2S)”2”[(2R)”2”[(2R)”3”(4”chlorophenyl)”2”acetamidopropanamido]”3”(pyridin”3”yl)propanamido]”3”hydroxypropanamido]”3”(4”hydroxyphenyl)propanamido]”6”[(E)”1,2”diethylcarbamimidamido]hexanamide
• Hazard Statement: No Data Available
• Smiles: O=C(N[C@@H](CC1=CC=C(O)C=C1)C(N[C@H](CCCCN/C(NCC)=N/CC)C(NC(CC(C)C)C(N[C@H](C(N2C(C(N[C@H](C(N)=O)C)=O)CCC2)=O)CCCCN/C(NCC)=N/CC)=O)=O)=O)[C@H](CO)NC([C@@H](CC3=CN=CC=C3)NC([C@@H](CC4=CC=C(Cl)C=C4)NC(C)=O)=O)=O
• Molecular Formula: C67H102ClN17O12
• Molecular Weight: 1373.11
• InChI: InChI=1S/C67H102ClN17O12/c1-9-71-66(72-10-2)75-32-15-13-20-49(58(90)81-51(35-41(5)6)59(91)80-50(21-14-16-33-76-67(73-11-3)74-12-4)65(97)85-34-18-22-56(85)64(96)77-42(7)57(69)89)79-61(93)53(37-45-25-29-48(88)30-26-45)83-63(95)55(40-86)84-62(94)54(38-46-19-17-31-70-39-46)82-60(92)52(78-43(8)87)36-44-23-27-47(68)28-24-44/h17,19,23-31,39,41-42,49-56,86,88H,9-16,18,20-22,32-38,40H2,1-8H3,(H2,69,89)(H,77,96)(H,78,87)(H,79,93)(H,80,91)(H,81,90)(H,82,92)(H,83,95)(H,84,94)(H2,71,72,75)(H2,73,74,76)/t42-,49+,50-,51?,52+,53-,54+,55-,56?/m0/s1
• Additionnal Information: IUPAC name: 1-(N2-N2-((R)-2-((R)-2-acetamido-3-(4-chlorophenyl)propanamido)-3-(pyridin-3-yl)propanoyl)-L-seryl-L-tyrosyl-N6-((E)-N,N'-diethylcarbamimidoyl)-D-lysylleucyl-N6-((E)-N,N'-diethylcarbamimidoyl)-L-lysyl)-N-((S)-1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
• Shipping Conditions: Room Temperature