Nalpha-Hydroxysulfonyl-28,31-nle-cholecystokinin (26-33)
[CAS# 105483-63-4]

Identification

• Name: Nalpha-Hydroxysulfonyl-28,31-nle-cholecystokinin (26-33)
• Synonyms: Disodium (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-Aminohexanoyl]Amino]Acetyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Hexanoyl]Amino]-4-[[(1S)-2-[[(2S)-2-[[(2S)-4-Hydroxy-4-Oxo-2-(Sulfoamino)Butanoyl]Amino]-3-(4-Sulfonatooxyphenyl)Propanoyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxo-Butanoate; Disodium (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-Amino-1-Oxohexyl]Amino]-1-Oxoethyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-1-Oxohexyl]Amino]-4-[[(1S)-2-[[(2S)-2-[[(2S)-4-Hydroxy-1,4-Dioxo-2-(Sulfoamino)Butyl]Amino]-1-Oxo-3-(4-Sulfonatooxyphenyl)Propyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxobutanoate; Disodium (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-Aminohexanoyl]Amino]Acetyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Hexanoyl]Amino]-4-[[(1S)-1-(Benzyl)-2-[[(2S)-2-[[(2S)-4-Hydroxy-4-Keto-2-(Sulfoamino)Butanoyl]Amino]-3-(4-Sulfatophenyl)Propanoyl]Amino]-2-Keto-Ethyl]Amino]-4-Keto-Butyrate
• Molecular Formula: C₅₁H₆₄N₁₀Na₂O₁₉S₂
• Molecular Weight: 1231.22
• CAS Registry Number: 105483-63-4
• SMILES: [C@H](NC(=O)CNC(=O)[C@@H](N)CCCC)(CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(=O)[C@@H](NC(=O)[C@@H](N[S](=O)(=O)O)CC(=O)O)CC3=CC=C(O[S]([O-])(=O)=O)C=C3)CC4=CC=CC=C4)CC([O-])=O)CCCC.[Na+].[Na+]
• InChI: 1S/C51H66N10O19S2.2Na/c1-3-5-15-34(52)45(67)54-28-42(62)55-39(24-31-27-53-35-17-11-10-14-33(31)35)47(69)56-36(16-6-4-2)46(68)59-40(25-43(63)64)48(70)57-37(22-29-12-8-7-9-13-29)49(71)60-50(72)38(23-30-18-20-32(21-19-30)80-82(77,78)79)58-51(73)41(26-44(65)66)61-81(74,75)76;;/h7-14,17-21,27,34,36-41,53,61H,3-6,15-16,22-26,28,52H2,1-2H3,(H,54,67)(H,55,62)(H,56,69)(H,57,70)(H,58,73)(H,59,68)(H,63,64)(H,65,66)(H,60,71,72)(H,74,75,76)(H,77,78,79);;/q;2*+1/p-2/t34-,36-,37-,38-,39-,40-,41-;;/m0../s1
• InChIKey: WXGJISIWGBRQND-IGSKUJGWSA-L