(2R,5S)-5-Amino-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxypropanoyl]-Phosphonoamino]-2-[(2S)-2-Amino-3-Hydroxypropanoyl]-4-Oxo-3-Phosphonohexanoic Acid
[CAS# 148832-06-8]

Identification

• Name: (2R,5S)-5-Amino-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxypropanoyl]-Phosphonoamino]-2-[(2S)-2-Amino-3-Hydroxypropanoyl]-4-Oxo-3-Phosphonohexanoic Acid
• Synonyms: (2R,5S)-5-Amino-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Propanoyl]-Phosphono-Amino]-2-[(2S)-2-Amino-3-Hydroxy-Propanoyl]-4-Oxo-3-Phosphono-Hexanoic Acid; (2R,5S)-5-Amino-2-[(2S)-2-Amino-3-Hydroxy-1-Oxopropyl]-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-Hydroxy-1-Oxopropyl]-Phosphonoamino]-4-Oxo-3-Phosphonohexanoic Acid; (2R,5S)-5-Amino-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Propanoyl]-Phosphono-Amino]-2-[(2S)-2-Amino-3-Hydroxy-Propanoyl]-4-Keto-3-Phosphono-Hexanoic Acid
• Molecular Formula: C₂₁H₃₃N₅O₁₅P₂
• Molecular Weight: 657.46
• CAS Registry Number: 148832-06-8
• SMILES: [C@@](C(=O)O)(N(C([C@@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)CO)=O)[P](=O)(O)O)(C([P](=O)(O)O)C([C@@H](N)C)=O)C([C@@H](N)CO)=O
• InChI: 1S/C21H33N5O15P2/c1-9(22)15(30)17(42(36,37)38)21(20(34)35,16(31)13(24)7-27)26(43(39,40)41)19(33)14(8-28)25-18(32)12(23)6-10-2-4-11(29)5-3-10/h2-5,9,12-14,17,27-29H,6-8,22-24H2,1H3,(H,25,32)(H,34,35)(H2,36,37,38)(H2,39,40,41)/t9-,12-,13-,14-,17?,21-/m0/s1
• InChIKey: CUNARXCTGFYKJV-NIHGWDQDSA-N

Properties

• Density: 1.727g/cm³ (Cal.)