Glu-Gln-Phe H-Asp-Asp-Tyr(So3h)-Gly-His-Met-Arg-Phe-NH2
[CAS# 125131-58-0]

Identification

• Name: Glu-Gln-Phe H-Asp-Asp-Tyr(So3h)-Gly-His-Met-Arg-Phe-NH2
• Synonyms: Leucosulfakinin I, 4-L-Aspartic Acid-; Perisulfakinin
• Molecular Formula: C₆₄H₈₆N₁₈O₂₂S₂
• Molecular Weight: 1523.61
• CAS Registry Number: 125131-58-0
• SMILES: [C@@H](CCC(=O)O)(N)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@@H](CC1=CN=C[NH]1)C(N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)=O)=O)=O)CC3=CC=C(C=C3)O[S](O)(=O)=O)=O)CC(=O)O)=O)CC(O)=O)=O)CC4=CC=CC=C4)=O)CCC(=O)N)=O
• InChI: 1S/C64H86N18O22S2/c1-105-24-22-42(59(96)76-40(13-8-23-71-64(68)69)57(94)78-43(54(67)91)25-34-9-4-2-5-10-34)77-61(98)46(28-37-31-70-33-73-37)74-50(84)32-72-56(93)44(27-36-14-16-38(17-15-36)104-106(101,102)103)79-62(99)47(29-52(87)88)82-63(100)48(30-53(89)90)81-60(97)45(26-35-11-6-3-7-12-35)80-58(95)41(19-20-49(66)83)75-55(92)39(65)18-21-51(85)86/h2-7,9-12,14-17,31,33,39-48H,8,13,18-30,32,65H2,1H3,(H2,66,83)(H2,67,91)(H,70,73)(H,72,93)(H,74,84)(H,75,92)(H,76,96)(H,77,98)(H,78,94)(H,79,99)(H,80,95)(H,81,97)(H,82,100)(H,85,86)(H,87,88)(H,89,90)(H4,68,69,71)(H,101,102,103)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
• InChIKey: CEVHBPUISQUUSQ-BHEJXMHWSA-N
• Protein Sequence: H-Glu-Gln-Phe-Asp-Asp-Tyr(SO3H)-Gly-His-Met-Arg-Phe-NH2

Properties

• Density: 1.56g/cm³ (Cal.)