Met(2)-Hyp(5)Glucopyranosyl-Enkephalinamide
[CAS# 121807-03-2]

Identification

• Name: Met(2)-Hyp(5)Glucopyranosyl-Enkephalinamide
• Synonyms: (2S,4R)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxyphenyl]Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]-4-Hydroxy-Pyrrolidine-2-Carboxamide; (2S,4R)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-1-Oxo-3-[4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Phenyl]Propyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]-4-Hydroxy-2-Pyrrolidinecarboxamide; (2S,4R)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxyphenyl]Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]-4-Hydroxy-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₃₆H₅₀N₆O₁₂S
• Molecular Weight: 790.88
• CAS Registry Number: 121807-03-2
• SMILES: [C@H]4(C(=O)NC([C@@H](NC(CNC([C@H](NC([C@@H](N)CC2=CC=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)C=C2)=O)CCSC)=O)=O)CC3=CC=CC=C3)=O)NC[C@@H](C4)O
• InChI: 1S/C36H50N6O12S/c1-55-12-11-24(41-32(49)23(37)13-20-7-9-22(10-8-20)53-36-31(48)30(47)29(46)27(18-43)54-36)33(50)39-17-28(45)40-26(14-19-5-3-2-4-6-19)35(52)42-34(51)25-15-21(44)16-38-25/h2-10,21,23-27,29-31,36,38,43-44,46-48H,11-18,37H2,1H3,(H,39,50)(H,40,45)(H,41,49)(H,42,51,52)/t21-,23+,24-,25+,26+,27-,29-,30+,31-,36-/m1/s1
• InChIKey: FMUXKLQGGYTHKR-RJGUPLRSSA-N

Properties

• Density: 1.407g/cm³ (Cal.)
• Boiling point: 1189.858°C at 760 mmHg (Cal.)
• Flash point: 673.402°C (Cal.)