Cholecystokinin (10-20)
[CAS# 100900-23-0]

Identification

• Name: Cholecystokinin (10-20)
• Synonyms: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-6-Amino-2-[[(2S,3S)-2-Amino-3-Methyl-Pentanoyl]Amino]Hexanoyl]Amino]-4-Oxo-Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-Oxo-Pentanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-[(2S)-2-[[(1S)-2-[[(1S)-2-Hydroxy-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-4-Oxo-Butanoic Acid; (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-6-Amino-2-[[(2S,3S)-2-Amino-3-Methyl-1-Oxopentyl]Amino]-1-Oxohexyl]Amino]-1,4-Dioxobutyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1,5-Dioxopentyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-4-[(2S)-2-[[[(1S)-2-[[(1S)-2-Hydroxy-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-4-Oxobutanoic Acid; (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-6-Amino-2-[[(2S,3S)-2-Amino-3-Methyl-Pentanoyl]Amino]Hexanoyl]Amino]-4-Keto-Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-Keto-Pentanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-[(2S)-2-[[(1S)-2-[[(1S)-2-Hydroxy-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Amino]-2-Keto-1-Methylol-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-4-Keto-Butyric Acid
• Molecular Formula: C₅₄H₉₀N₁₆O₁₈
• Molecular Weight: 1251.40
• CAS Registry Number: 100900-23-0
• SMILES: [C@@H](N)(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC1=CN=C[NH]1)CO)CCC2)CC(=O)O)CC(C)C)CO)CCC(=O)N)CC(C)C)CC(=O)N)CCCCN)[C@@H](C)CC
• InChI: 1S/C54H90N16O18/c1-7-28(6)43(58)52(85)62-30(11-8-9-15-55)44(77)65-34(20-41(57)74)48(81)63-32(17-26(2)3)46(79)61-31(13-14-40(56)73)45(78)68-37(23-71)49(82)64-33(18-27(4)5)47(80)66-35(21-42(75)76)53(86)70-16-10-12-39(70)51(84)69-38(24-72)50(83)67-36(54(87)88)19-29-22-59-25-60-29/h22,25-28,30-39,43,71-72H,7-21,23-24,55,58H2,1-6H3,(H2,56,73)(H2,57,74)(H,59,60)(H,61,79)(H,62,85)(H,63,81)(H,64,82)(H,65,77)(H,66,80)(H,67,83)(H,68,78)(H,69,84)(H,75,76)(H,87,88)/t28-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,43-/m0/s1
• InChIKey: JBWFYIDIZXNRQD-CQVFSJASSA-N