Ac(4-Cl-Phe(1,2)-Trp(3)-Tyr(5)-Lys(6)-Ala(10))-Gnrh
[CAS# 81608-50-6]

Identification

• Name: Ac(4-Cl-Phe(1,2)-Trp(3)-Tyr(5)-Lys(6)-Ala(10))-Gnrh
• Synonyms: Acpttl-Gnrh; D-Alaninamide, N-Acetyl-4-Chloro-D-Phenylalanyl-4-Chloro-D-Phenylalanyl-D-Tryptophyl-L-Seryl-L-Tyrosyl-D-Lysyl-L-Leucyl-L-Arginyl-L-Prolyl-; Gnrh, Ac(4-Cl-Phe(1,2)-Trp(3)-Tyr(5)-Lys(6)-Ala(10))-
• Molecular Formula: C₆₉H₉₂Cl₂N₁₆O₁₃
• Molecular Weight: 1424.49
• CAS Registry Number: 81608-50-6
• 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)CCCCN)=O)CC(C)C)=O)CCCNC(=N)N)=O)=O)C
• InChI: 1S/C69H92Cl2N16O13/c1-38(2)31-53(82-61(93)51(13-7-8-28-72)80-64(96)55(34-43-20-26-47(90)27-21-43)84-66(98)57(37-88)85-60(92)49(73)35-44-36-77-50-12-6-5-11-48(44)50)62(94)81-52(14-9-29-76-69(74)75)68(100)87-30-10-15-58(87)67(99)78-39(3)59(91)86-65(97)56(33-42-18-24-46(71)25-19-42)83-63(95)54(79-40(4)89)32-41-16-22-45(70)23-17-41/h5-6,11-12,16-27,36,38-39,49,51-58,77,88,90H,7-10,13-15,28-35,37,72-73H2,1-4H3,(H,78,99)(H,79,89)(H,80,96)(H,81,94)(H,82,93)(H,83,95)(H,84,98)(H,85,92)(H4,74,75,76)(H,86,91,97)/t39-,49-,51-,52+,53+,54-,55+,56-,57+,58+/m1/s1
• InChIKey: NUIAJFBZAPTJIV-UEAPRJKMSA-N

Properties

• Density: 1.43g/cm³ (Cal.)