Leucosulfakinin
[CAS# 105520-56-7]

Identification

• Name: Leucosulfakinin
• Synonyms: Leucosulfakinin; Leucosulfakinin I
• Molecular Formula: C₆₅H₈₈N₁₈O₂₂S₂
• Molecular Weight: 1537.64
• CAS Registry Number: 105520-56-7
• SMILES: [C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CCC(=O)O)=O)CCC(=O)N)=O)CC1=CC=CC=C1)=O)CCC(=O)O)=O)CC(=O)O)=O)CC2=CC=C(C=C2)O[S](=O)(=O)O)=O)=O)CC3=CN=C[NH]3)=O)CCSC)=O)CCCNC(N)=N)=O)(C(=O)N)CC4=CC=CC=C4
• InChI: 1S/C65H88N18O22S2/c1-106-26-24-44(61(98)77-41(13-8-25-72-65(69)70)58(95)80-45(55(68)92)27-35-9-4-2-5-10-35)79-63(100)48(30-38-32-71-34-74-38)75-51(85)33-73-57(94)46(29-37-14-16-39(17-15-37)105-107(102,103)104)81-64(101)49(31-54(90)91)83-60(97)43(20-23-53(88)89)78-62(99)47(28-36-11-6-3-7-12-36)82-59(96)42(19-21-50(67)84)76-56(93)40(66)18-22-52(86)87/h2-7,9-12,14-17,32,34,40-49H,8,13,18-31,33,66H2,1H3,(H2,67,84)(H2,68,92)(H,71,74)(H,73,94)(H,75,85)(H,76,93)(H,77,98)(H,78,99)(H,79,100)(H,80,95)(H,81,101)(H,82,96)(H,83,97)(H,86,87)(H,88,89)(H,90,91)(H4,69,70,72)(H,102,103,104)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
• InChIKey: HVIASWSUUCJWIE-CUZNLEPHSA-N

Properties

• Density: 1.55g/cm³ (Cal.)