Desaminopancreozymin Octapeptide
[CAS# 67436-51-5]

Identification

• Name: Desaminopancreozymin Octapeptide
• Synonyms: 4-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-3-Oxo-3-Sulfooxy-Propyl]Carbamoyl]-3-Methylsulfanyl-Propyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Carbamoyl]-3-Methylsulfanyl-Propyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid; 4-[[(1S)-2-[[(1S)-1-[[[2-[[(1S)-2-[[(1S)-1-[[[(1S)-1-[[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-3-Oxo-3-Sulfooxypropyl]Amino]-Oxomethyl]-3-(Methylthio)Propyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-3-(Methylthio)Propyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-4-Oxobutanoic Acid; 4-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]Carbamoyl]-3-Keto-3-Sulfoxy-Propyl]Carbamoyl]-3-(Methylthio)Propyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Carbamoyl]-3-(Methylthio)Propyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₄₉H₆₁N₉O₁₆S₃
• Molecular Weight: 1128.25
• CAS Registry Number: 67436-51-5
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC(CCC(=O)O)=O)CC1=CC=C(O)C=C1)=O)CCSC)=O)=O)CC2=C[NH]C3=CC=CC=C23)=O)CCSC)=O)CC(O[S](=O)(=O)O)=O)=O)CC4=CC=CC=C4
• InChI: 1S/C49H61N9O16S3/c1-75-20-18-34(55-47(68)37(53-40(60)16-17-42(62)63)23-29-12-14-31(59)15-13-29)45(66)52-27-41(61)54-38(24-30-26-51-33-11-7-6-10-32(30)33)48(69)56-35(19-21-76-2)46(67)58-39(25-43(64)74-77(71,72)73)49(70)57-36(44(50)65)22-28-8-4-3-5-9-28/h3-15,26,34-39,51,59H,16-25,27H2,1-2H3,(H2,50,65)(H,52,66)(H,53,60)(H,54,61)(H,55,68)(H,56,69)(H,57,70)(H,58,67)(H,62,63)(H,71,72,73)/t34-,35-,36-,37-,38-,39-/m0/s1
• InChIKey: RLMFQGWYHWGSLF-BGBFCPIGSA-N

Properties

• Density: 1.429g/cm³ (Cal.)