2-Gly-9-Des-Gly-2-Phe-8-Orn-Vasopressin
[CAS# 113846-97-2]

Identification

• Name: 2-Gly-9-Des-Gly-2-Phe-8-Orn-Vasopressin
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[(2-Aminoacetyl)Amino]Acetyl]Amino]-3-Sulfanyl-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-N-[(1S)-3-Amino-1-[[(1R)-2-[(2S)-2-[[(Z,1S)-4-Amino-1-Carbamoyl-But-2-Enyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Oxo-1-(Sulfanylmethyl)Ethyl]Carbamoyl]-3-Oxo-Propyl]Pentanediamide; (2S)-N-[(1S)-3-Amino-1-[[[(1R)-2-[(2S)-2-[[[(Z,1S)-4-Amino-1-Carbamoylbut-2-Enyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-1-(Mercaptomethyl)-2-Oxoethyl]Amino]-Oxomethyl]-3-Oxopropyl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[(2-Amino-1-Oxoethyl)Amino]-1-Oxoethyl]Amino]-3-Mercapto-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]Pentanediamide; (2S)-N-[(1S)-3-Amino-1-[[(1R)-2-[(2S)-2-[[(Z,1S)-4-Amino-1-Carbamoyl-But-2-Enyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Keto-1-(Mercaptomethyl)Ethyl]Carbamoyl]-3-Keto-Propyl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-(Glycylamino)Acetyl]Amino]-3-Mercapto-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Glutaramide
• Molecular Formula: C₄₇H₆₆N₁₄O₁₂S₂
• Molecular Weight: 1083.25
• CAS Registry Number: 113846-97-2
• SMILES: [C@@H]3(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN)CS)CC1=CC=CC=C1)CC2=CC=CC=C2)CCC(=O)N)CC(=O)N)CS)CCC3)C(=O)N[C@H](C(=O)N)\C=C/CN
• InChI: 1S/C47H66N14O12S2/c48-17-7-13-28(40(52)66)55-46(72)35-14-8-18-61(35)47(73)34(25-75)60-44(70)32(21-37(51)63)59-41(67)29(15-16-36(50)62)56-42(68)30(19-26-9-3-1-4-10-26)57-43(69)31(20-27-11-5-2-6-12-27)58-45(71)33(24-74)54-39(65)23-53-38(64)22-49/h1-7,9-13,28-35,74-75H,8,14-25,48-49H2,(H2,50,62)(H2,51,63)(H2,52,66)(H,53,64)(H,54,65)(H,55,72)(H,56,68)(H,57,69)(H,58,71)(H,59,67)(H,60,70)/b13-7-/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
• InChIKey: IFORABRXCOGMRD-AXXONBJMSA-N

Properties

• Density: 1.365g/cm³ (Cal.)
• Boiling point: 1642.7°C at 760 mmHg (Cal.)
• Flash point: 947.271°C (Cal.)