2-Gly-9-Des-Gly-4-Val-8-Orn-Vasopressin
[CAS# 113846-98-3]

Identification

• Name: 2-Gly-9-Des-Gly-4-Val-8-Orn-Vasopressin
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[(2-Aminoacetyl)Amino]Acetyl]Amino]-3-Thioxo-Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]-N-[(1R)-2-[(2S)-2-[[(1S)-4-Amino-1-Carbamoyl-Butyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Oxo-1-(Sulfanylmethyl)Ethyl]Butanediamide; (2S)-N-[(1R)-2-[(2S)-2-[[[(1S)-4-Amino-1-Carbamoylbutyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-1-(Mercaptomethyl)-2-Oxoethyl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[(2-Amino-1-Oxoethyl)Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Thioxopropyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-Methyl-1-Oxobutyl]Amino]Butanediamide; (2S)-N-[(1R)-2-[(2S)-2-[[(1S)-4-Amino-1-Carbamoyl-Butyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Keto-1-(Mercaptomethyl)Ethyl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-(Glycylamino)Acetyl]Amino]-3-Thioxo-Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]Succinamide
• Molecular Formula: C₄₇H₆₇N₁₃O₁₂S₂
• Molecular Weight: 1070.25
• CAS Registry Number: 113846-98-3
• SMILES: [C@H](C(=O)N)(NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC(CN)=O)=O)C=S)=O)CC2=CC=C(O)C=C2)=O)CC3=CC=CC=C3)=O)C(C)C)=O)CC(=O)N)=O)CS)=O)=O)CCCN
• InChI: 1S/C47H67N13O12S2/c1-25(2)39(46(71)57-32(20-36(50)62)42(67)58-34(24-74)47(72)60-17-7-11-35(60)45(70)54-29(40(51)65)10-6-16-48)59-43(68)31(18-26-8-4-3-5-9-26)55-41(66)30(19-27-12-14-28(61)15-13-27)56-44(69)33(23-73)53-38(64)22-52-37(63)21-49/h3-5,8-9,12-15,23,25,29-35,39,61,74H,6-7,10-11,16-22,24,48-49H2,1-2H3,(H2,50,62)(H2,51,65)(H,52,63)(H,53,64)(H,54,70)(H,55,66)(H,56,69)(H,57,71)(H,58,67)(H,59,68)/t29-,30-,31-,32-,33-,34-,35-,39-/m0/s1
• InChIKey: MFRYCOBSLAWTLO-FRHXTIEESA-N

Properties

• Density: 1.356g/cm³ (Cal.)