Tert-Butyloxycarbonyl-Cholecystokinin (27-33)
[CAS# 20987-59-1]

Identification

• Name: Tert-Butyloxycarbonyl-Cholecystokinin (27-33)
• Synonyms: (3S)-4-[[(1R)-3-Amino-3-Oxo-1-Phenyl-Propyl]Amino]-3-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-(Tert-Butoxycarbonylamino)-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-[[(1R)-3-Amino-3-Oxo-1-Phenylpropyl]Amino]-3-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[(Tert-Butoxy-Oxomethyl)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-[[(1R)-3-Amino-3-Keto-1-Phenyl-Propyl]Amino]-3-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-(Tert-Butoxycarbonylamino)-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: C₅₀H₆₅N₉O₁₅S₃
• Molecular Weight: 1128.29
• CAS Registry Number: 20987-59-1
• SMILES: [C@H](C1=CC=CC=C1)(CC(=O)N)NC([C@@H](NC([C@H](NC([C@H](CC2=C[NH]C3=C2C=CC=C3)NC(CNC([C@@H](NC([C@@H](NC(OC(C)(C)C)=O)CC4=CC=C(C=C4)O[S](O)(=O)=O)=O)CCSC)=O)=O)=O)CCSC)=O)CC(=O)O)=O
• InChI: 1S/C50H65N9O15S3/c1-50(2,3)73-49(69)59-38(23-29-15-17-32(18-16-29)74-77(70,71)72)46(66)55-35(19-21-75-4)44(64)53-28-42(61)54-39(24-31-27-52-34-14-10-9-13-33(31)34)47(67)56-36(20-22-76-5)45(65)58-40(26-43(62)63)48(68)57-37(25-41(51)60)30-11-7-6-8-12-30/h6-18,27,35-40,52H,19-26,28H2,1-5H3,(H2,51,60)(H,53,64)(H,54,61)(H,55,66)(H,56,67)(H,57,68)(H,58,65)(H,59,69)(H,62,63)(H,70,71,72)/t35-,36+,37+,38-,39-,40-/m0/s1
• InChIKey: BVPSGWGJNXCKLC-VFLIAAMKSA-N