Somatostatin 28-(1-12)
[CAS# 81286-16-0]

Identification

• Name: Somatostatin 28-(1-12)
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]Propanoyl]Amino]-4-Oxo-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-Oxo-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Pentanoyl]Amino]Pentanedioic Acid; (2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-Amino-3-Hydroxy-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1,4-Dioxobutyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-1,4-Dioxobutyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxopropyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]Pentanedioic Acid; (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]Propanoyl]Amino]-4-Keto-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-Keto-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Pentanoyl]Amino]Glutaric Acid
• Molecular Formula: C₄₉H₈₁N₁₇O₁₉S
• Molecular Weight: 1244.34
• CAS Registry Number: 81286-16-0
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(CCC2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C)CC(=O)N)CO)CC(=O)N)C)CCSC)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(O)=O
• InChI: 1S/C49H81N17O19S/c1-22(56-39(75)25(50)20-67)38(74)62-29(18-34(51)69)42(78)64-31(21-68)43(79)63-30(19-35(52)70)47(83)66-16-7-9-32(66)44(80)57-23(2)37(73)59-27(13-17-86-4)40(76)58-24(3)46(82)65-15-6-10-33(65)45(81)60-26(8-5-14-55-49(53)54)41(77)61-28(48(84)85)11-12-36(71)72/h22-33,67-68H,5-21,50H2,1-4H3,(H2,51,69)(H2,52,70)(H,56,75)(H,57,80)(H,58,76)(H,59,73)(H,60,81)(H,61,77)(H,62,74)(H,63,79)(H,64,78)(H,71,72)(H,84,85)(H4,53,54,55)/t22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1
• InChIKey: VQMDZCSYTGHXGO-QXVRTUGUSA-N

Properties

• Density: 1.613g/cm³ (Cal.)