N-Acetyl-Norleucine(28,31)-Cholecystokinin (26-33)
[CAS# 105504-60-7]

Identification

• Name: N-Acetyl-Norleucine(28,31)-Cholecystokinin (26-33)
• Synonyms: Sodium (3S)-4-[[(1S)-2-[[(2S)-2-[[(2S)-2-Acetamido-4-Hydroxy-4-Oxo-Butanoyl]Amino]-3-(4-Sulfooxyphenyl)Propanoyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-Aminohexanoyl]Amino]Acetyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Hexanoyl]Amino]-4-Oxo-Butanoate; Sodium (3S)-4-[[(1S)-2-[[(2S)-2-[[(2S)-2-Acetamido-4-Hydroxy-1,4-Dioxobutyl]Amino]-1-Oxo-3-(4-Sulfooxyphenyl)Propyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-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-Oxobutanoate; Sodium (3S)-4-[[(1S)-2-[[(2S)-2-[[(2S)-2-Acetamido-4-Hydroxy-4-Keto-Butanoyl]Amino]-3-(4-Sulfoxyphenyl)Propanoyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]Amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-Aminohexanoyl]Amino]Acetyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Hexanoyl]Amino]-4-Keto-Butyrate
• Molecular Formula: C₅₃H₆₇N₁₀NaO₁₇S
• Molecular Weight: 1171.22
• CAS Registry Number: 105504-60-7
• 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](NC(=O)C)CC(=O)O)CC3=CC=C(O[S](=O)(=O)O)C=C3)CC4=CC=CC=C4)CC([O-])=O)CCCC.[Na+]
• InChI: 1S/C53H68N10O17S.Na/c1-4-6-16-36(54)47(70)56-29-44(65)58-41(25-33-28-55-37-18-12-11-15-35(33)37)49(72)59-38(17-7-5-2)48(71)62-43(27-46(68)69)51(74)61-39(23-31-13-9-8-10-14-31)52(75)63-53(76)40(60-50(73)42(26-45(66)67)57-30(3)64)24-32-19-21-34(22-20-32)80-81(77,78)79;/h8-15,18-22,28,36,38-43,55H,4-7,16-17,23-27,29,54H2,1-3H3,(H,56,70)(H,57,64)(H,58,65)(H,59,72)(H,60,73)(H,61,74)(H,62,71)(H,66,67)(H,68,69)(H,63,75,76)(H,77,78,79);/q;+1/p-1/t36-,38-,39-,40-,41-,42-,43-;/m0./s1
• InChIKey: RYZYNKTWCREORQ-BQFFIIAHSA-M