N-Ac-Ala(1)-(4-Cl-Phe)(2)-Trp(3,6)-Lhrh
[CAS# 81557-54-2]

Identification

• Name: N-Ac-Ala(1)-(4-Cl-Phe)(2)-Trp(3,6)-Lhrh
• Synonyms: Lhrh, N-Acetylphenylalanyl(1)-(4-Chlorophenylalanyl)(2)-Tryptophan(3,6)-; Lhrh, N-Ac-Ala(1)-(4-Cl-Phe)(2)-Trp(3,6)-; Luteinizing Hormone-Releasing Factor, 1-(N-Acetyl-L-Alanine)-2-(4-Chloro-D-Phenylalanine)-3-D-Tryptophan-6-D-Tryptophan-
• Molecular Formula: C₆₇H₈₅ClN₁₆O₁₃
• Molecular Weight: 1357.96
• CAS Registry Number: 81557-54-2
• SMILES: [C@H]1(CCCN1C([C@@H](NC([C@H](CC(C)C)NC([C@H](NC([C@@H](NC([C@@H](NC([C@@H](CC2=C[NH]C3=C2C=CC=C3)NC([C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@H](C)NC(C)=O)=O)=O)CO)=O)CC5=CC=C(C=C5)O)=O)CC6=C[NH]C7=CC=CC=C67)=O)=O)CCCNC(N)=N)=O)C(=O)NCC(=O)N
• InChI: 1S/C67H85ClN16O13/c1-36(2)27-50(59(90)77-49(15-9-25-72-67(70)71)66(97)84-26-10-16-56(84)65(96)75-34-57(69)88)79-62(93)53(30-41-32-73-47-13-7-5-11-45(41)47)81-61(92)52(29-40-19-23-44(87)24-20-40)80-64(95)55(35-85)83-63(94)54(31-42-33-74-48-14-8-6-12-46(42)48)82-60(91)51(28-39-17-21-43(68)22-18-39)78-58(89)37(3)76-38(4)86/h5-8,11-14,17-24,32-33,36-37,49-56,73-74,85,87H,9-10,15-16,25-31,34-35H2,1-4H3,(H2,69,88)(H,75,96)(H,76,86)(H,77,90)(H,78,89)(H,79,93)(H,80,95)(H,81,92)(H,82,91)(H,83,94)(H4,70,71,72)/t37-,49-,50-,51+,52-,53+,54+,55-,56-/m0/s1
• InChIKey: ZCTSGJGBEHEBBD-QRMCYJJBSA-N

Properties

• Density: 1.45g/cm³ (Cal.)