(4S)-4-[[(2S)-2-(9H-Fluoren-9-Ylmethoxycarbonylamino)-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# 151957-36-7]

Identification

• Name: (4S)-4-[[(2S)-2-(9H-Fluoren-9-Ylmethoxycarbonylamino)-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-(9H-Fluoren-9-Ylmethoxycarbonylamino)-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-[(9H-Fluoren-9-Ylmethoxy-Oxomethyl)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-(9H-Fluoren-9-Ylmethoxycarbonylamino)-5-Hydroxy-5-Keto-Pentanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]-3-(4-Phosphonooxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Propionic Acid
• Molecular Formula: C₄₀H₄₆N₅O₁₆P
• Molecular Weight: 883.80
• CAS Registry Number: 151957-36-7
• SMILES: [C@@H](NC(OCC2C1=CC=CC=C1C3=C2C=CC=C3)=O)(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C)CC4=CC=C(O[P](=O)(O)O)C=C4)CCC(=O)O)CCC(=O)O
• InChI: 1S/C40H46N5O16P/c1-21(35(50)42-22(2)39(54)55)41-38(53)32(19-23-11-13-24(14-12-23)61-62(57,58)59)44-36(51)30(15-17-33(46)47)43-37(52)31(16-18-34(48)49)45-40(56)60-20-29-27-9-5-3-7-25(27)26-8-4-6-10-28(26)29/h3-14,21-22,29-32H,15-20H2,1-2H3,(H,41,53)(H,42,50)(H,43,52)(H,44,51)(H,45,56)(H,46,47)(H,48,49)(H,54,55)(H2,57,58,59)/t21-,22-,30-,31-,32-/m0/s1
• InChIKey: GTADITZBYLFJRH-LKBHVWHPSA-N

Properties

• Density: 1.452g/cm³ (Cal.)