Cholecystokinin (26-33)
[CAS# 80980-81-0]

Identification

• Name: Cholecystokinin (26-33)
• Synonyms: (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-Hydroxy-4-Oxo-Butanoyl]Amino]-3-(4-Sulfooxyphenyl)Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]Acetyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-4-[[(1S)-2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-Hydroxy-1,4-Dioxobutyl]Amino]-1-Oxo-3-(4-Sulfooxyphenyl)Propyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-1-Oxoethyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-4-[[(1S)-2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxobutanoic Acid; (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-Hydroxy-4-Keto-Butanoyl]Amino]-3-(4-Sulfoxyphenyl)Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]Acetyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-4-[[(1S)-1-(Benzyl)-2-Hydroxy-2-Keto-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₄₉H₆₁N₉O₁₇S₃
• Molecular Weight: 1144.25
• CAS Registry Number: 80980-81-0
• SMILES: [C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)CC1=CC=C(O[S](=O)(=O)O)C=C1)CCSC)(CC2=C[NH]C3=C2C=CC=C3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)CC(=O)O)CCSC
• InChI: 1S/C49H61N9O17S3/c1-76-18-16-34(54-46(67)36(56-43(64)32(50)23-41(60)61)20-28-12-14-30(15-13-28)75-78(72,73)74)44(65)52-26-40(59)53-37(22-29-25-51-33-11-7-6-10-31(29)33)47(68)55-35(17-19-77-2)45(66)57-38(24-42(62)63)48(69)58-39(49(70)71)21-27-8-4-3-5-9-27/h3-15,25,32,34-39,51H,16-24,26,50H2,1-2H3,(H,52,65)(H,53,59)(H,54,67)(H,55,68)(H,56,64)(H,57,66)(H,58,69)(H,60,61)(H,62,63)(H,70,71)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
• InChIKey: SDJPEEZPMPFEON-YRVFCXMDSA-N

Properties

• Density: 1.453g/cm³ (Cal.)