threonyl(34)-aminohexanoic acid(37)-Cholecystokinin (31-39)
[CAS# 124869-86-9]

Identification

• Name: threonyl(34)-aminohexanoic acid(37)-Cholecystokinin (31-39)
• Synonyms: (3S)-3-Amino-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-3-Sulfooxy-Butanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]-[(2S)-2-[[6-[[2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-6-Oxo-Hexyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-Amino-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-1-Oxo-3-Sulfooxybutyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]-[(2S)-2-[[6-[[2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-6-Oxohexyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-4-Oxobutanoic Acid; (3S)-3-Amino-4-[[(2S)-2-[[6-[[2-Amino-1-(Benzyl)-2-Keto-Ethyl]Amino]-6-Keto-Hexyl]Amino]-4-(Methylthio)Butanoyl]-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-3-Sulfoxy-Butanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₅₃H₇₂N₁₀O₁₅S₃
• Molecular Weight: 1185.39
• CAS Registry Number: 124869-86-9
• SMILES: [C@H](C(=O)N(C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)CCSC)=O)[C@@H](C)O[S](=O)(=O)O)=O)CC2=C[NH]C3=CC=CC=C23)=O)C([C@@H](N)CC(=O)O)=O)(NCCCCCC(=O)NC(C(=O)N)CC4=CC=CC=C4)CCSC
• InChI: 1S/C53H72N10O15S3/c1-31(78-81(75,76)77)46(62-49(70)40(21-24-79-2)60-48(69)37(54)26-33-17-19-35(64)20-18-33)50(71)61-43(28-34-30-58-39-15-10-9-14-36(34)39)53(74)63(51(72)38(55)29-45(66)67)52(73)41(22-25-80-3)57-23-11-5-8-16-44(65)59-42(47(56)68)27-32-12-6-4-7-13-32/h4,6-7,9-10,12-15,17-20,30-31,37-38,40-43,46,57-58,64H,5,8,11,16,21-29,54-55H2,1-3H3,(H2,56,68)(H,59,65)(H,60,69)(H,61,71)(H,62,70)(H,66,67)(H,75,76,77)/t31-,37+,38+,40+,41+,42?,43+,46+/m1/s1
• InChIKey: RNKRPHCSPOTCAU-UJPUOWPXSA-N

Properties

• Density: 1.385g/cm³ (Cal.)