1-Deamino-4-(2-Aminobutyric Acid)-8-Arginine Vasopressin
[CAS# 25953-03-1]

Identification

• Name: 1-Deamino-4-(2-Aminobutyric Acid)-8-Arginine Vasopressin
• Synonyms: (2S)-N-[(1R)-2-[(2S)-2-[[(1S)-1-[[2-(2-Aminobutanoylamino)-2-Oxo-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]Pyrrolidin-1-Yl]-1-Methanethioyl-2-Oxo-Ethyl]-2-[[(2S)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-(3-Sulfanylpropanoylamino)Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Butanediamide; (2S)-N-[(1R)-2-[(2S)-2-[[[(1S)-1-[[[2-[(2-Amino-1-Oxobutyl)Amino]-2-Oxoethyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-1-Methanethioyl-2-Oxoethyl]-2-[[(2S)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[(3-Mercapto-1-Oxopropyl)Amino]-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]Butanediamide; (2S)-N-[(1R)-2-[(2S)-2-[[(1S)-1-[[2-(2-Aminobutanoylamino)-2-Keto-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Keto-1-Thioformyl-Ethyl]-2-[[(2S)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-(3-Mercaptopropanoylamino)Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Succinamide
• Molecular Formula: C₄₅H₆₃N₁₃O₁₁S₂
• Molecular Weight: 1026.19
• CAS Registry Number: 25953-03-1
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCS)CC2=CC=C(O)C=C2)CC3=CC=CC=C3)CC(=O)N)C=S)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)NC(=O)C(N)CC
• InChI: 1S/C45H63N13O11S2/c1-2-28(46)38(63)57-37(62)23-51-39(64)29(10-6-17-50-45(48)49)53-43(68)34-11-7-18-58(34)44(69)33(24-71)56-42(67)32(22-35(47)60)55-41(66)31(20-25-8-4-3-5-9-25)54-40(65)30(52-36(61)16-19-70)21-26-12-14-27(59)15-13-26/h3-5,8-9,12-15,24,28-34,59,70H,2,6-7,10-11,16-23,46H2,1H3,(H2,47,60)(H,51,64)(H,52,61)(H,53,68)(H,54,65)(H,55,66)(H,56,67)(H4,48,49,50)(H,57,62,63)/t28?,29-,30-,31-,32-,33-,34-/m0/s1
• InChIKey: IJAAXQRWLKOZCR-CTWDBFPRSA-N

Properties

• Density: 1.487g/cm³ (Cal.)