N-Acetyl-3-(2-Naphthalenyl)-D-Alanyl-4-Chloro-D-Phenylalanyl-D-Tryptophyl-L-Seryl-L-Tyrosyl-N6-(Aminocarbonyl)-D-Lysyl-L-Leucyl-L-Arginyl-L-Prolyl-D-Alaninamide
[CAS# 120287-83-4]

Identification

• Name: N-Acetyl-3-(2-Naphthalenyl)-D-Alanyl-4-Chloro-D-Phenylalanyl-D-Tryptophyl-L-Seryl-L-Tyrosyl-N6-(Aminocarbonyl)-D-Lysyl-L-Leucyl-L-Arginyl-L-Prolyl-D-Alaninamide
• Synonyms: Gnrh, N-Ac-2-Nal(1)-4-Cl-Phe(2)-Trp(3)-Hci(6)-Alanh2(10)-; Lhrh, N-Acetyl-2-Naphthalenylalanyl(1)-4-Chlorophenylalanyl(2)-Tryptophyl(3)-Homocitrullinyl(6)-Alaninamide(10)-; Lhrh, N-Ac-2-Nal(1)-4-Cl-Phe(2)-Trp(3)-Hci(6)-Alanh2(10)-
• Molecular Formula: C₇₄H₉₆ClN₁₇O₁₄
• Molecular Weight: 1483.13
• CAS Registry Number: 120287-83-4
• SMILES: [C@@H](C(=O)N(C([C@@H](NC([C@@H](NC([C@H](NC([C@H](N)CC1=CC=C(C=C1)Cl)=O)CC2=C[NH]C3=CC=CC=C23)=O)CO)=O)CC4=CC=C(O)C=C4)=O)C([C@H](NC(=O)C)CC6=CC=C5C=CC=CC5=C6)=O)(NC([C@H]7N(CCC7)C([C@@H](NC([C@@H](NC([C@H](N)CCCCNC(=O)N)=O)CC(C)C)=O)CCCNC(=N)N)=O)=O)C
• InChI: 1S/C74H96ClN17O14/c1-41(2)33-57(87-63(96)53(76)16-9-10-30-82-74(80)106)65(98)86-56(18-11-31-81-73(78)79)70(103)91-32-12-19-62(91)68(101)84-42(3)69(102)92(71(104)59(85-43(4)94)37-46-20-25-47-13-5-6-14-48(47)34-46)72(105)60(36-45-23-28-51(95)29-24-45)89-67(100)61(40-93)90-66(99)58(38-49-39-83-55-17-8-7-15-52(49)55)88-64(97)54(77)35-44-21-26-50(75)27-22-44/h5-8,13-15,17,20-29,34,39,41-42,53-54,56-62,83,93,95H,9-12,16,18-19,30-33,35-38,40,76-77H2,1-4H3,(H,84,101)(H,85,94)(H,86,98)(H,87,96)(H,88,97)(H,89,100)(H,90,99)(H4,78,79,81)(H3,80,82,106)/t42-,53-,54-,56+,57+,58-,59-,60+,61+,62+/m1/s1
• InChIKey: YRIHQDGDADHDII-YPGJXLFCSA-N

Properties

• Density: 1.43g/cm³ (Cal.)