Ovurelin
[CAS# 115803-96-8]

Identification

• Name: Ovurelin
• Synonyms: Gnrh, Phe(6)-N-Et-Pronh2-; Lhrh, Phe(6)-N-Et-Pronh2-; Lhrh, Phenylalanyl(6)-N-Ethylprolinamide(9)-
• Molecular Formula: C₆₂H₈₂N₁₆O₁₂
• Molecular Weight: 1243.43
• CAS Registry Number: 115803-96-8
• SMILES: [C@@H]7(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)CC1)CC2=CN=C[NH]2)CC3=C[NH]C4=C3C=CC=C4)CO)CC5=CC=C(O)C=C5)CC6=CC=CC=C6)CC(C)C)CCCNC(=N)N)CCC7)C(=O)NCC
• InChI: 1S/C62H82N16O12/c1-4-66-60(89)51-17-11-25-78(51)61(90)44(16-10-24-67-62(63)64)71-54(83)45(26-35(2)3)72-55(84)46(27-36-12-6-5-7-13-36)73-56(85)47(28-37-18-20-40(80)21-19-37)74-59(88)50(33-79)77-57(86)48(29-38-31-68-42-15-9-8-14-41(38)42)75-58(87)49(30-39-32-65-34-69-39)76-53(82)43-22-23-52(81)70-43/h5-9,12-15,18-21,31-32,34-35,43-51,68,79-80H,4,10-11,16-17,22-30,33H2,1-3H3,(H,65,69)(H,66,89)(H,70,81)(H,71,83)(H,72,84)(H,73,85)(H,74,88)(H,75,87)(H,76,82)(H,77,86)(H4,63,64,67)/t43-,44-,45-,46+,47-,48-,49-,50-,51-/m0/s1
• InChIKey: DCHIRKIHIUVOFN-AVHLHLRFSA-N

Properties

• Density: 1.45g/cm³ (Cal.)