2-(4-Azidosalicylamido)-1,3-Dithiopropionate(28-Thr-31-aHx)-Cholecystokinin (25-33)
[CAS# 124894-89-9]

Identification

• Name: 2-(4-Azidosalicylamido)-1,3-Dithiopropionate(28-Thr-31-aHx)-Cholecystokinin (25-33)
• Synonyms: Asd-Thr-Ahx-Cck (25-33); Cholecystokinin (25-33), 2-(4-Azidosalicylamido)-1,3-Dithiopropionate(Threonyl(28)-Aminohexanoyl(31))-; Cholecystokinin (25-33),2-(4-Azidosalicylamido)-1,3-Dithiopropionate(Thr(28)-Ahx(31))-
• Molecular Formula: C₆₅H₈₄N₁₄O₁₈S₅
• Molecular Weight: 1509.76
• CAS Registry Number: 124894-89-9
• SMILES: [C@H](C(=O)N(C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)CCSC)=O)[C@@H](C)O[S](=O)(=O)O)=O)CC2=C[NH]C3=CC=CC=C23)=O)C([C@@H](NC(CCSSCCNC(C4=CC=C(C=C4O)N=[N+]=[N-])=O)=O)CC(=O)O)=O)(NCCCCCC(=O)NC(C(=O)N)CC5=CC=CC=C5)CCSC
• InChI: 1S/C65H84N14O18S5/c1-38(97-102(94,95)96)57(76-61(89)48(23-28-98-2)74-60(88)46(66)32-40-17-20-43(80)21-18-40)62(90)75-51(34-41-37-71-47-15-10-9-14-44(41)47)64(92)79(63(91)49(24-29-99-3)69-26-11-5-8-16-54(82)72-50(58(67)86)33-39-12-6-4-7-13-39)65(93)52(36-56(84)85)73-55(83)25-30-100-101-31-27-70-59(87)45-22-19-42(77-78-68)35-53(45)81/h4,6-7,9-10,12-15,17-22,35,37-38,46,48-52,57,69,71,80-81H,5,8,11,16,23-34,36,66H2,1-3H3,(H2,67,86)(H,70,87)(H,72,82)(H,73,83)(H,74,88)(H,75,90)(H,76,89)(H,84,85)(H,94,95,96)/t38-,46+,48+,49+,50?,51+,52+,57+/m1/s1
• InChIKey: BYKAURDEKRDYMN-IJXMQMCGSA-N