L-tyrosyl-D-methionylglycyl-L-phenylalanyl-N-beta-D-glucopyranosyl-L-Prolinamide
[CAS# 113282-21-6]

Identification

• Name: L-tyrosyl-D-methionylglycyl-L-phenylalanyl-N-beta-D-glucopyranosyl-L-Prolinamide
• Synonyms: (2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]-1-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Pyrrolidine-2-Carboxamide; (2S)-N-[(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]-1-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]-2-Pyrrolidinecarboxamide; (2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]-1-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₃₆H₅₀N₆O₁₁S
• Molecular Weight: 774.88
• CAS Registry Number: 113282-21-6
• SMILES: [C@H]3(C(=O)NC([C@@H](NC(CNC([C@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)CCSC)=O)=O)CC2=CC=CC=C2)=O)N(CCC3)[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@H](O4)CO
• InChI: 1S/C36H50N6O11S/c1-54-15-13-24(40-32(49)23(37)16-21-9-11-22(44)12-10-21)33(50)38-18-28(45)39-25(17-20-6-3-2-4-7-20)34(51)41-35(52)26-8-5-14-42(26)36-31(48)30(47)29(46)27(19-43)53-36/h2-4,6-7,9-12,23-27,29-31,36,43-44,46-48H,5,8,13-19,37H2,1H3,(H,38,50)(H,39,45)(H,40,49)(H,41,51,52)/t23-,24+,25-,26-,27+,29+,30-,31+,36+/m0/s1
• InChIKey: DCANYFWGGDUEFG-WJKZGGHHSA-N

Properties

• Density: 1.403g/cm³ (Cal.)
• Boiling point: 1163.778°C at 760 mmHg (Cal.)
• Flash point: 657.629°C (Cal.)