(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-Aminopropanoyl]Amino]-3-Hydroxybutanoyl]Amino]-3-(4-Phosphonooxyphenyl)Propanoyl]Amino]-3-Hydroxypropanoyl]Amino]Propanoic Acid
[CAS# 145079-49-8]

Identification

• Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-Aminopropanoyl]Amino]-3-Hydroxybutanoyl]Amino]-3-(4-Phosphonooxyphenyl)Propanoyl]Amino]-3-Hydroxypropanoyl]Amino]Propanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-Aminopropanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-(4-Phosphonooxyphenyl)Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]Propanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-Amino-1-Oxopropyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-1-Oxo-3-(4-Phosphonooxyphenyl)Propyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]Propanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-(Alanylamino)-3-Hydroxy-Butanoyl]Amino]-3-(4-Phosphonooxyphenyl)Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]Propionic Acid
• Molecular Formula: C₂₂H₃₄N₅O₁₂P
• Molecular Weight: 591.51
• CAS Registry Number: 145079-49-8
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)C)=O)[C@@H](C)O)=O)CC1=CC=C(O[P](=O)(O)O)C=C1)=O)CO)=O)C
• InChI: 1S/C22H34N5O12P/c1-10(23)18(30)27-17(12(3)29)21(33)25-15(8-13-4-6-14(7-5-13)39-40(36,37)38)19(31)26-16(9-28)20(32)24-11(2)22(34)35/h4-7,10-12,15-17,28-29H,8-9,23H2,1-3H3,(H,24,32)(H,25,33)(H,26,31)(H,27,30)(H,34,35)(H2,36,37,38)/t10-,11-,12+,15-,16-,17-/m0/s1
• InChIKey: AFKGITWXKROKCA-UYFLOSJKSA-N

Properties

• Density: 1.481g/cm³ (Cal.)