(4S)-4-[[(2S)-2-Amino-5-Hydroxy-5-Oxopentanoyl]Amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-Hydroxy-1-Oxopropan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-1-Oxo-3-(4-Phosphonooxyphenyl)Propan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 151957-35-6]

Identification

• Name: (4S)-4-[[(2S)-2-Amino-5-Hydroxy-5-Oxopentanoyl]Amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-Hydroxy-1-Oxopropan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-1-Oxo-3-(4-Phosphonooxyphenyl)Propan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (4S)-4-[[(2S)-2-Amino-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-5-[[(1S)-2-[[(1S)-2-[[(1S)-2-Hydroxy-1-Methyl-2-Oxo-Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-2-Oxo-1-[(4-Phosphonooxyphenyl)Methyl]Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S)-2-Amino-5-Hydroxy-1,5-Dioxopentyl]Amino]-5-[[(1S)-2-[[(1S)-2-[[(1S)-2-Hydroxy-1-Methyl-2-Oxoethyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-2-Oxo-1-[(4-Phosphonooxyphenyl)Methyl]Ethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-Hydroxy-5-Keto-Pentanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]-3-(4-Phosphonooxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Propionic Acid
• Molecular Formula: C₂₅H₃₆N₅O₁₄P
• Molecular Weight: 661.56
• CAS Registry Number: 151957-35-6
• SMILES: [C@H](NC([C@@H](NC(=O)[C@@H](N)CCC(=O)O)CCC(O)=O)=O)(CC1=CC=C(O[P](O)(O)=O)C=C1)C(=O)N[C@@H](C)C(N[C@H](C(=O)O)C)=O
• InChI: 1S/C25H36N5O14P/c1-12(21(35)28-13(2)25(39)40)27-24(38)18(11-14-3-5-15(6-4-14)44-45(41,42)43)30-23(37)17(8-10-20(33)34)29-22(36)16(26)7-9-19(31)32/h3-6,12-13,16-18H,7-11,26H2,1-2H3,(H,27,38)(H,28,35)(H,29,36)(H,30,37)(H,31,32)(H,33,34)(H,39,40)(H2,41,42,43)/t12-,13-,16-,17-,18-/m0/s1
• InChIKey: PADRNAOGQQAXCU-IGISWZIWSA-N

Properties

• Density: 1.494g/cm³ (Cal.)