N-Acetyl-4-Fluoro-D-Phenylalanyl-4-Chloro-D-Phenylalanyl-D-Tryptophyl-L-Seryl-L-Tyrosyl-D-Tryptophyl-L-Leucyl-L-Arginyl-L-Prolyl-D-Alaninamide
[CAS# 78493-49-9]

Identification

• Name: N-Acetyl-4-Fluoro-D-Phenylalanyl-4-Chloro-D-Phenylalanyl-D-Tryptophyl-L-Seryl-L-Tyrosyl-D-Tryptophyl-L-Leucyl-L-Arginyl-L-Prolyl-D-Alaninamide
• Synonyms: Gnrh, N-Ac-(4-F-Phe)(1)-(4-Cl-Phe)(2)-Trp(3,6)-Alanh2(10)-; Lhrh, N-Ac-(4-F-Phe)(1)-(4-Cl-Phe)(2)-Trp(3,6)-Alanh2(10)-; Lhrh-N-Acetyl-4-Fluorophenylalanyl(1)-4-Chlorophenylalanyl(2)-Tryptophyl(3,6)-Alaninamide(10)-
• Molecular Formula: C₇₄H₉₀ClFN₁₆O₁₃
• Molecular Weight: 1466.08
• CAS Registry Number: 78493-49-9
• SMILES: [C@@H](C(=O)NC([C@H](NC(=O)C)CC1=CC=C(C=C1)F)=O)(NC([C@H]2N(CCC2)C([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@H](N)CC3=CC=C(C=C3)Cl)=O)CC4=C[NH]C5=CC=CC=C45)=O)CO)=O)CC6=CC=C(O)C=C6)=O)CC7=C[NH]C8=CC=CC=C78)=O)CC(C)C)=O)CCCNC(=N)N)=O)=O)C
• InChI: 1S/C74H90ClFN16O13/c1-40(2)31-57(66(98)85-56(15-9-29-80-74(78)79)73(105)92-30-10-16-63(92)72(104)83-41(3)64(96)91-70(102)58(84-42(4)94)33-44-19-25-49(76)26-20-44)87-68(100)61(36-47-38-82-55-14-8-6-12-52(47)55)89-67(99)59(34-45-21-27-50(95)28-22-45)88-71(103)62(39-93)90-69(101)60(35-46-37-81-54-13-7-5-11-51(46)54)86-65(97)53(77)32-43-17-23-48(75)24-18-43/h5-8,11-14,17-28,37-38,40-41,53,56-63,81-82,93,95H,9-10,15-16,29-36,39,77H2,1-4H3,(H,83,104)(H,84,94)(H,85,98)(H,86,97)(H,87,100)(H,88,103)(H,89,99)(H,90,101)(H4,78,79,80)(H,91,96,102)/t41-,53-,56+,57+,58-,59+,60-,61-,62+,63+/m1/s1
• InChIKey: SHBNJCOEGDTGKI-LSVAVSISSA-N

Properties

• Density: 1.43g/cm³ (Cal.)