2-Methionyl-5-hydroxyprolyl-(beta-D-galactopyranosyl)enkephalinamide
[CAS# 124076-39-7]

Identification

• Name: 2-Methionyl-5-hydroxyprolyl-(beta-D-galactopyranosyl)enkephalinamide
• Synonyms: (2S,4R)-1-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Pyrrolidine-2-Carboxamide; (2S,4R)-1-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]-4-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Pyrrolidinecarboxamide; (2S,4R)-1-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₃₆H₅₀N₆O₁₂S
• Molecular Weight: 790.88
• CAS Registry Number: 124076-39-7
• SMILES: [C@H]1(C(=O)N)N(C[C@@H](C1)O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@H](O2)CO)C([C@@H](NC(CNC([C@H](NC([C@@H](N)CC3=CC=C(O)C=C3)=O)CCSC)=O)=O)CC4=CC=CC=C4)=O
• InChI: 1S/C36H50N6O12S/c1-55-12-11-24(41-33(50)23(37)13-20-7-9-21(44)10-8-20)34(51)39-16-28(45)40-25(14-19-5-3-2-4-6-19)35(52)42-17-22(15-26(42)32(38)49)53-36-31(48)30(47)29(46)27(18-43)54-36/h2-10,22-27,29-31,36,43-44,46-48H,11-18,37H2,1H3,(H2,38,49)(H,39,51)(H,40,45)(H,41,50)/t22-,23+,24-,25+,26+,27-,29+,30+,31-,36-/m1/s1
• InChIKey: NVXBSVRJYKSJFK-OWDIZPSWSA-N

Properties

• Density: 1.471g/cm³ (Cal.)
• Boiling point: 1226.475°C at 760 mmHg (Cal.)
• Flash point: 695.547°C (Cal.)