Propyl (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Amino-5-Oxopentanoate
[CAS# 79795-28-1]

Identification

• Name: Propyl (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Amino-5-Oxopentanoate
• Synonyms: Propyl (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Amino-5-Oxo-Pentanoate; (2R)-2-[[(2S)-2-[[2-[[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Oxy]-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-5-Amino-5-Oxopentanoic Acid Propyl Ester; (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-Methylol-Tetrahydropyran-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Amino-5-Keto-Valeric Acid Propyl Ester
• Molecular Formula: C₂₂H₃₈N₄O₁₁
• Molecular Weight: 534.56
• CAS Registry Number: 79795-28-1
• SMILES: [C@@H](C(=O)OCCC)(NC([C@@H](NC(C(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(=O)C)=O)C)=O)CCC(=O)N
• InChI: 1S/C22H38N4O11/c1-5-8-35-21(33)13(6-7-15(23)29)26-19(31)10(2)24-20(32)11(3)36-18-16(25-12(4)28)22(34)37-14(9-27)17(18)30/h10-11,13-14,16-18,22,27,30,34H,5-9H2,1-4H3,(H2,23,29)(H,24,32)(H,25,28)(H,26,31)/t10-,11?,13+,14+,16+,17+,18+,22-/m0/s1
• InChIKey: ZCBHJLZDJLSAOR-XURZDMGJSA-N

Properties

• Density: 1.349g/cm³ (Cal.)
• Boiling point: 951.778°C at 760 mmHg (Cal.)
• Flash point: 529.417°C (Cal.)