5-Oxo-D-Prolyl-D-Phenylalanyl-D-Tryptophyl-L-Seryl-L-Tyrosyl-D-Tryptophyl-L-Leucyl-L-Arginyl-L-Prolyl-Glycinamide
[CAS# 68059-94-9]

Identification

• Name: 5-Oxo-D-Prolyl-D-Phenylalanyl-D-Tryptophyl-L-Seryl-L-Tyrosyl-D-Tryptophyl-L-Leucyl-L-Arginyl-L-Prolyl-Glycinamide
• Synonyms: Gnrh, Pglu(1)-Phe(2)-Trp(3,6)-; Gpt-Lhrh; Lhrh, D-Pglu(1)-D-Phe(2)-D-Trp(3,6)-
• Molecular Formula: C₆₇H₈₄N₁₆O₁₃
• Molecular Weight: 1321.50
• CAS Registry Number: 68059-94-9
• SMILES: [C@@H]1(CCC(N1)=O)C(N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](CC2=C[NH]C3=C2C=CC=C3)C(=O)N[C@@H](CC(C)C)C(N[C@H](C(N4CCC[C@H]4C(=O)NCC(N)=O)=O)CCCNC(N)=N)=O)=O)CC5=CC=C(C=C5)O)=O)CO)=O)CC6=C[NH]C7=C6C=CC=C7)CC8=CC=CC=C8)=O
• InChI: 1S/C67H84N16O13/c1-37(2)28-49(59(89)76-48(18-10-26-71-67(69)70)66(96)83-27-11-19-55(83)65(95)74-35-56(68)86)77-62(92)52(31-40-33-72-45-16-8-6-14-43(40)45)80-61(91)51(30-39-20-22-42(85)23-21-39)79-64(94)54(36-84)82-63(93)53(32-41-34-73-46-17-9-7-15-44(41)46)81-60(90)50(29-38-12-4-3-5-13-38)78-58(88)47-24-25-57(87)75-47/h3-9,12-17,20-23,33-34,37,47-55,72-73,84-85H,10-11,18-19,24-32,35-36H2,1-2H3,(H2,68,86)(H,74,95)(H,75,87)(H,76,89)(H,77,92)(H,78,88)(H,79,94)(H,80,91)(H,81,90)(H,82,93)(H4,69,70,71)/t47-,48+,49+,50-,51+,52-,53-,54+,55+/m1/s1
• InChIKey: NYWIVATZZKIKCF-FKDXDCHSSA-N

Properties

• Density: 1.47g/cm³ (Cal.)