(2R,6S)-2-Amino-6-[[(4R)-4-(Heptanoylamino)-5-Hydroxy-5-Oxopentanoyl]Amino]-7-[[(2R)-1-Hydroxy-1-Oxopropan-2-Yl]Amino]-7-Oxoheptanoic Acid
[CAS# 79335-75-4]

Identification

• Name: (2R,6S)-2-Amino-6-[[(4R)-4-(Heptanoylamino)-5-Hydroxy-5-Oxopentanoyl]Amino]-7-[[(2R)-1-Hydroxy-1-Oxopropan-2-Yl]Amino]-7-Oxoheptanoic Acid
• Synonyms: (2R,6S)-2-Amino-6-[[(4R)-4-(Heptanoylamino)-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-7-[[(1R)-2-Hydroxy-1-Methyl-2-Oxo-Ethyl]Amino]-7-Oxo-Heptanoic Acid; (2R,6S)-2-Amino-6-[[(4R)-5-Hydroxy-1,5-Dioxo-4-(1-Oxoheptylamino)Pentyl]Amino]-7-[[(1R)-2-Hydroxy-1-Methyl-2-Oxoethyl]Amino]-7-Oxoheptanoic Acid; (2R,6S)-2-Amino-6-[[(4R)-4-(Enanthylamino)-5-Hydroxy-5-Keto-Pentanoyl]Amino]-7-[[(1R)-2-Hydroxy-2-Keto-1-Methyl-Ethyl]Amino]-7-Keto-Enanthic Acid
• Molecular Formula: C₂₂H₃₈N₄O₉
• Molecular Weight: 502.56
• CAS Registry Number: 79335-75-4
• SMILES: [C@@H](NC(=O)CC[C@@H](NC(=O)CCCCCC)C(=O)O)(C(=O)N[C@@H](C(=O)O)C)CCC[C@@H](N)C(=O)O
• InChI: 1S/C22H38N4O9/c1-3-4-5-6-10-17(27)26-16(22(34)35)11-12-18(28)25-15(9-7-8-14(23)21(32)33)19(29)24-13(2)20(30)31/h13-16H,3-12,23H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)(H,30,31)(H,32,33)(H,34,35)/t13-,14-,15+,16-/m1/s1
• InChIKey: ZRWBSKCFKHSDHD-LVQVYYBASA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 924.056°C at 760 mmHg (Cal.)
• Flash point: 512.65°C (Cal.)