Octapeptide-Trp(8)-Somatostatin
[CAS# 68374-47-0]

Identification

• Name: Octapeptide-Trp(8)-Somatostatin
• Synonyms: (2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-Amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Amino-3-Sulfanyl-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Sulfanyl-Propanoic Acid; (2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-Amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Amino-3-Mercapto-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-1-Oxohexyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-Mercaptopropanoic Acid; (2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-Amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Amino-3-Mercapto-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Mercapto-Propionic Acid
• Molecular Formula: C₅₄H₆₈N₁₀O₁₀S₂
• Molecular Weight: 1081.31
• CAS Registry Number: 68374-47-0
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CS)=O)CC1=CC=CC=C1)=O)CC2=CC=CC=C2)=O)CC3=C[NH]C4=CC=CC=C34)=O)CCCCN)=O)[C@@H](C)O)=O)CC5=CC=CC=C5)=O)CS
• InChI: 1S/C54H68N10O10S2/c1-32(65)46(53(72)62-43(27-35-19-9-4-10-20-35)51(70)63-45(31-76)54(73)74)64-48(67)40(23-13-14-24-55)58-52(71)44(28-36-29-57-39-22-12-11-21-37(36)39)61-50(69)42(26-34-17-7-3-8-18-34)60-49(68)41(59-47(66)38(56)30-75)25-33-15-5-2-6-16-33/h2-12,15-22,29,32,38,40-46,57,65,75-76H,13-14,23-28,30-31,55-56H2,1H3,(H,58,71)(H,59,66)(H,60,68)(H,61,69)(H,62,72)(H,63,70)(H,64,67)(H,73,74)/t32-,38+,40+,41+,42+,43+,44-,45+,46+/m1/s1
• InChIKey: CDMVTQHQSAPTJJ-OCZUONHDSA-N

Properties

• Density: 1.321g/cm³ (Cal.)
• Boiling point: 1466.61°C at 760 mmHg (Cal.)
• Flash point: 840.775°C (Cal.)