tert-butyloxycarbonylnorleucine(28,31)-Cholecystokinin (26-33)
[CAS# 113137-57-8]

Identification

• Name: tert-butyloxycarbonylnorleucine(28,31)-Cholecystokinin (26-33)
• Synonyms: (3S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Hexanoyl]Amino]Acetyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Hexanoyl]Amino]-4-Oxo-4-Sulfooxy-Butanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-(Tert-Butoxycarbonylamino)-4-Oxo-Butanoic Acid; (3S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxohexyl]Amino]-1-Oxoethyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-1-Oxohexyl]Amino]-1,4-Dioxo-4-Sulfooxybutyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-[(Tert-Butoxy-Oxomethyl)Amino]-4-Oxobutanoic Acid; (3S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Hexanoyl]Amino]Acetyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Hexanoyl]Amino]-4-Keto-4-Sulfoxy-Butanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-(Tert-Butoxycarbonylamino)-4-Keto-Butyric Acid
• Molecular Formula: C₅₆H₇₄N₁₀O₁₈S
• Molecular Weight: 1207.32
• CAS Registry Number: 113137-57-8
• SMILES: [C@H](C(=O)NC([C@@H](NC(=O)OC(C)(C)C)CC(=O)O)=O)(NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)CCCC)=O)=O)CC2=C[NH]C3=CC=CC=C23)=O)CCCC)=O)CC(O[S](=O)(=O)O)=O)=O)CC4=CC=CC=C4
• InChI: 1S/C56H74N10O18S/c1-6-8-18-39(61-48(72)37(57)25-33-21-23-35(67)24-22-33)49(73)59-31-45(68)60-42(27-34-30-58-38-20-14-13-17-36(34)38)51(75)62-40(19-9-7-2)50(74)64-44(29-47(71)84-85(80,81)82)52(76)63-41(26-32-15-11-10-12-16-32)53(77)66-54(78)43(28-46(69)70)65-55(79)83-56(3,4)5/h10-17,20-24,30,37,39-44,58,67H,6-9,18-19,25-29,31,57H2,1-5H3,(H,59,73)(H,60,68)(H,61,72)(H,62,75)(H,63,76)(H,64,74)(H,65,79)(H,69,70)(H,66,77,78)(H,80,81,82)/t37-,39-,40-,41-,42-,43-,44-/m0/s1
• InChIKey: NPHMIEWTAQTTCZ-JBNHEJHRSA-N

Properties

• Density: 1.357g/cm³ (Cal.)