N-Acetyl-3-(2-Naphthalenyl)-D-Alanyl-4-Chloro-D-Phenylalanyl-3-(3-Pyridinyl)-D-Alanyl-L-Seryl-L-Tyrosyl-N6-(Aminocarbonyl)-D-Lysyl-L-Leucyl-N6-(1-Methylethyl)-L-Lysyl-L-Prolyl-D-Alaninamide
[CAS# 151272-78-5]

Identification

• Name: N-Acetyl-3-(2-Naphthalenyl)-D-Alanyl-4-Chloro-D-Phenylalanyl-3-(3-Pyridinyl)-D-Alanyl-L-Seryl-L-Tyrosyl-N6-(Aminocarbonyl)-D-Lysyl-L-Leucyl-N6-(1-Methylethyl)-L-Lysyl-L-Prolyl-D-Alaninamide
• Synonyms: Ep 24332; Ac-D-Nal-D-Cpa-D-Pal-Ser-Tyr-D-Hci-Leu-Lys(Ipr)-Pro-D-Ala-Nh2; Antarelix
• Molecular Formula: C₇₄H₁₀₀ClN₁₅O₁₄
• Molecular Weight: 1459.15
• CAS Registry Number: 151272-78-5
• SMILES: [C@@](C(=O)N(C([C@@H](NC([C@H](N)CCCCNC(=O)N)=O)CC(C)C)=O)C([C@@H](NC([C@@H](NC([C@H](N)CC1=CC=CN=C1)=O)CO)=O)CC2=CC=C(O)C=C2)=O)(N(C([C@H]3N(CCC3)C([C@@H](N)CCCCNC(C)C)=O)=O)C([C@H](N)CC4=CC=C(C=C4)Cl)=O)(C)C([C@H](NC(=O)C)CC6=CC=C5C=CC=CC5=C6)=O
• InChI: 1S/C74H100ClN15O14/c1-43(2)35-59(85-64(95)54(76)18-9-12-33-83-73(80)104)69(100)89(70(101)60(39-47-24-29-53(93)30-25-47)86-66(97)61(42-91)87-65(96)56(78)38-49-15-13-31-81-41-49)72(103)74(6,63(94)58(84-45(5)92)40-48-21-26-50-16-7-8-17-51(50)36-48)90(68(99)57(79)37-46-22-27-52(75)28-23-46)71(102)62-20-14-34-88(62)67(98)55(77)19-10-11-32-82-44(3)4/h7-8,13,15-17,21-31,36,41,43-44,54-62,82,91,93H,9-12,14,18-20,32-35,37-40,42,76-79H2,1-6H3,(H,84,92)(H,85,95)(H,86,97)(H,87,96)(H3,80,83,104)/t54-,55+,56-,57-,58-,59+,60+,61+,62+,74-/m1/s1
• InChIKey: PUQWGDBFLLUZAN-PMCQXWBXSA-N

Properties

• Density: 1.297g/cm³ (Cal.)