(2R,5S)-5-Amino-2-[(2S,3R)-2-Amino-3-Hydroxybutanoyl]-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxypropanoyl]-Phosphonoamino]-4-Oxo-3-Phosphonohexanoic Acid
[CAS# 145079-47-6]

Identification

• Name: (2R,5S)-5-Amino-2-[(2S,3R)-2-Amino-3-Hydroxybutanoyl]-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxypropanoyl]-Phosphonoamino]-4-Oxo-3-Phosphonohexanoic Acid
• Synonyms: (2R,5S)-5-Amino-2-[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Propanoyl]-Phosphono-Amino]-4-Oxo-3-Phosphono-Hexanoic Acid; (2R,5S)-5-Amino-2-[(2S,3R)-2-Amino-3-Hydroxy-1-Oxobutyl]-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,3R)-2-Amino-3-Hydroxy-Butanoyl]-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Propanoyl]-Phosphono-Amino]-4-Keto-3-Phosphono-Hexanoic Acid
• Molecular Formula: C₂₂H₃₅N₅O₁₅P₂
• Molecular Weight: 671.49
• CAS Registry Number: 145079-47-6
• 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)[C@@H](C)O)=O
• InChI: 1S/C22H35N5O15P2/c1-9(23)16(31)18(43(37,38)39)22(21(35)36,17(32)15(25)10(2)29)27(44(40,41)42)20(34)14(8-28)26-19(33)13(24)7-11-3-5-12(30)6-4-11/h3-6,9-10,13-15,18,28-30H,7-8,23-25H2,1-2H3,(H,26,33)(H,35,36)(H2,37,38,39)(H2,40,41,42)/t9-,10+,13-,14-,15-,18?,22-/m0/s1
• InChIKey: GCSAMAGHTYPNJU-CVQONXBLSA-N

Properties

• Density: 1.689g/cm³ (Cal.)