Glycine-Cholecystokinin
[CAS# 124762-72-7]

Identification

• Name: Glycine-Cholecystokinin
• 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-(Carboxymethylamino)-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-(Carboxymethylamino)-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxobutanoic Acid; 2-[[(2S)-2-[[(2S)-2-[[(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-Hydroxy-4-Keto-Butanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Acetic Acid
• Molecular Formula: C₅₁H₆₄N₁₀O₁₈S₃
• Molecular Weight: 1201.30
• CAS Registry Number: 124762-72-7
• SMILES: [C@@H](N)(C(N[C@H](C(N[C@@H](CCSC)C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(=O)O)=O)CC1=CC=CC=C1)=O)CC(O)=O)=O)CCSC)=O)CC2=C[NH]C3=C2C=CC=C3)=O)=O)=O)CC4=CC=C(C=C4)O[S](O)(=O)=O)=O)CC(O)=O
• InChI: 1S/C51H64N10O18S3/c1-80-18-16-35(57-49(73)38(59-45(69)33(52)23-42(63)64)21-29-12-14-31(15-13-29)79-82(76,77)78)46(70)54-26-41(62)56-39(22-30-25-53-34-11-7-6-10-32(30)34)50(74)58-36(17-19-81-2)48(72)61-40(24-43(65)66)51(75)60-37(47(71)55-27-44(67)68)20-28-8-4-3-5-9-28/h3-15,25,33,35-40,53H,16-24,26-27,52H2,1-2H3,(H,54,70)(H,55,71)(H,56,62)(H,57,73)(H,58,74)(H,59,69)(H,60,75)(H,61,72)(H,63,64)(H,65,66)(H,67,68)(H,76,77,78)/t33-,35-,36-,37-,38-,39-,40-/m0/s1
• InChIKey: OJFGNERXEAHCAZ-YJXWTMGESA-N

Properties

• Density: 1.454g/cm³ (Cal.)