N-Ac-(4-Cl-Phe)(1,2)-Trp(3)-Arg(6)-Alanh2(10)-Lhrh
[CAS# 81608-49-3]

Identification

• Name: N-Ac-(4-Cl-Phe)(1,2)-Trp(3)-Arg(6)-Alanh2(10)-Lhrh
• Synonyms: D-Alaninamide, N-Acetyl-4-Chloro-D-Phenylalanyl-4-Chloro-D-Phenylalanyl-D-Tryptophyl-L-Seryl-L-Tyrosyl-D-Arginyl-L-Leucyl-L-Arginyl-L-Prolyl-; Gnrh, N-Ac-(4-Cl-Phe)(1,2)-Trp(3)-Arg(6)-Alanh2(10)-; Lhrh, N-Ac-(4-Cl-Phe)(1,2)-Trp(3)-Arg(6)-Alanh2(10)-
• Molecular Formula: C₆₉H₉₂Cl₂N₁₈O₁₃
• Molecular Weight: 1452.50
• CAS Registry Number: 81608-49-3
• SMILES: [C@@H](C(=O)NC([C@H](NC([C@H](NC(=O)C)CC1=CC=C(C=C1)Cl)=O)CC2=CC=C(C=C2)Cl)=O)(NC([C@H]3N(CCC3)C([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC([C@H](N)CC4=C[NH]C5=CC=CC=C45)=O)CO)=O)CC6=CC=C(O)C=C6)=O)CCCNC(=N)N)=O)CC(C)C)=O)CCCNC(=N)N)=O)=O)C
• InChI: 1S/C69H92Cl2N18O13/c1-37(2)30-52(84-60(95)50(12-7-27-77-68(73)74)82-63(98)54(33-42-19-25-46(92)26-20-42)86-65(100)56(36-90)87-59(94)48(72)34-43-35-79-49-11-6-5-10-47(43)49)61(96)83-51(13-8-28-78-69(75)76)67(102)89-29-9-14-57(89)66(101)80-38(3)58(93)88-64(99)55(32-41-17-23-45(71)24-18-41)85-62(97)53(81-39(4)91)31-40-15-21-44(70)22-16-40/h5-6,10-11,15-26,35,37-38,48,50-57,79,90,92H,7-9,12-14,27-34,36,72H2,1-4H3,(H,80,101)(H,81,91)(H,82,98)(H,83,96)(H,84,95)(H,85,97)(H,86,100)(H,87,94)(H4,73,74,77)(H4,75,76,78)(H,88,93,99)/t38-,48-,50-,51+,52+,53-,54+,55-,56+,57+/m1/s1
• InChIKey: HDKMSGKLRVZCOD-SXMMSQOJSA-N

Properties

• Density: 1.45g/cm³ (Cal.)