Ac-Dehydro-Pro(1)-4-Cl-Phe(2)-Trp(3,6)-LHRH
[CAS# 80152-22-3]

Identification

• Name: Ac-Dehydro-Pro(1)-4-Cl-Phe(2)-Trp(3,6)-LHRH
• Synonyms: (Ac-Delta(Sup 3)-Pro(Sup 1)-4-Cl-D-Phe(Sup 2)-D-Trp(Sup 3,6))-Gnrh; (Ac-Delta(Sup 3)-Pro(Sup 1)-4-Cl-D-Phe(Sup 2)-D-Trp(Sup 3,6))-Lhrh; (Ac-Delta(Sup 3)-Pro(Sup 1)-4-Cl-D-Phe(Sup 2)-D-Trp(Sup 3,6))-Gonadotropin Releasing Hormone
• Molecular Formula: C₆₉H₈₅ClN₁₆O₁₃
• Molecular Weight: 1381.98
• CAS Registry Number: 80152-22-3
• SMILES: [C@@H]1(N(CCC1)C([C@@H](NC([C@@H](NC([C@@H](CC2=C[NH]C3=C2C=CC=C3)NC([C@@H](NC([C@@H](NC([C@@H](CC4=C[NH]C5=C4C=CC=C5)NC([C@H](NC([C@@H]6C=CCN6C(C)=O)=O)CC7=CC=C(C=C7)Cl)=O)=O)CO)=O)CC8=CC=C(C=C8)O)=O)=O)CC(C)C)=O)CCCNC(N)=N)=O)C(=O)NCC(N)=O
• InChI: 1S/C69H85ClN16O13/c1-38(2)29-51(60(91)78-50(15-8-26-74-69(72)73)68(99)86-28-10-16-57(86)66(97)77-36-59(71)90)79-63(94)54(32-42-34-75-48-13-6-4-11-46(42)48)81-61(92)52(31-41-20-24-45(89)25-21-41)80-65(96)56(37-87)84-64(95)55(33-43-35-76-49-14-7-5-12-47(43)49)82-62(93)53(30-40-18-22-44(70)23-19-40)83-67(98)58-17-9-27-85(58)39(3)88/h4-7,9,11-14,17-25,34-35,38,50-58,75-76,87,89H,8,10,15-16,26-33,36-37H2,1-3H3,(H2,71,90)(H,77,97)(H,78,91)(H,79,94)(H,80,96)(H,81,92)(H,82,93)(H,83,98)(H,84,95)(H4,72,73,74)/t50-,51-,52-,53+,54+,55+,56-,57-,58-/m0/s1
• InChIKey: RLANJWSCJJGOMB-FZANJEFGSA-N

Properties

• Density: 1.46g/cm³ (Cal.)