Cholecystokinin (27-33)
[CAS# 20988-64-1]

Identification

• Name: Cholecystokinin (27-33)
• Synonyms: (3S)-4-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Sulfooxyphenyl)Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]Acetyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-4-Oxo-Butanoic Acid; (3S)-4-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-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-Oxobutanoic Acid; (3S)-4-[[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]Amino]-3-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Sulfoxyphenyl)Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]Acetyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₄₅H₅₇N₉O₁₃S₃
• Molecular Weight: 1028.18
• CAS Registry Number: 20988-64-1
• SMILES: [C@H](C(N[C@H](C(=O)N)CC1=CC=CC=C1)=O)(NC(C(NC([C@H](CC2=C[NH]C3=C2C=CC=C3)NC(=O)CNC([C@@H](NC([C@H](CC4=CC=C(O[S](=O)(=O)O)C=C4)N)=O)CCSC)=O)=O)CCSC)=O)CC(=O)O
• InChI: 1S/C45H57N9O13S3/c1-68-18-16-33(51-41(59)31(46)20-27-12-14-29(15-13-27)67-70(64,65)66)42(60)49-25-38(55)50-36(22-28-24-48-32-11-7-6-10-30(28)32)44(62)52-34(17-19-69-2)43(61)54-37(23-39(56)57)45(63)53-35(40(47)58)21-26-8-4-3-5-9-26/h3-15,24,31,33-37,48H,16-23,25,46H2,1-2H3,(H2,47,58)(H,49,60)(H,50,55)(H,51,59)(H,52,62)(H,53,63)(H,54,61)(H,56,57)(H,64,65,66)/t31-,33-,34?,35-,36-,37-/m0/s1
• InChIKey: POJQCKMUKSKXST-AAZCXRPTSA-N