(2S)-2-[[(2S)-2-[[Hydroxy-[(1R)-2-Phenyl-1-(Phenylmethoxycarbonylamino)Ethyl]Phosphoryl]Amino]-4-Methylpentanoyl]Amino]Propanoic Acid
[CAS# 110786-00-0]

Identification

• Name: (2S)-2-[[(2S)-2-[[Hydroxy-[(1R)-2-Phenyl-1-(Phenylmethoxycarbonylamino)Ethyl]Phosphoryl]Amino]-4-Methylpentanoyl]Amino]Propanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-[[Hydroxy-[(1R)-2-Phenyl-1-(Phenylmethoxycarbonylamino)Ethyl]Phosphoryl]Amino]-4-Methyl-Pentanoyl]Amino]Propanoic Acid; (2S)-2-[[(2S)-2-[[Hydroxy-[(1R)-1-[[Oxo-(Phenylmethoxy)Methyl]Amino]-2-Phenylethyl]Phosphoryl]Amino]-4-Methyl-1-Oxopentyl]Amino]Propanoic Acid; (2S)-2-[[(2S)-2-[[[(1R)-1-(Benzyloxycarbonylamino)-2-Phenyl-Ethyl]-Hydroxy-Phosphoryl]Amino]-4-Methyl-Pentanoyl]Amino]Propionic Acid
• Molecular Formula: C₂₅H₃₄N₃O₇P
• Molecular Weight: 519.53
• CAS Registry Number: 110786-00-0
• SMILES: [C@H]([P](=O)(O)N[C@H](C(=O)N[C@H](C(=O)O)C)CC(C)C)(NC(OCC1=CC=CC=C1)=O)CC2=CC=CC=C2
• InChI: 1S/C25H34N3O7P/c1-17(2)14-21(23(29)26-18(3)24(30)31)28-36(33,34)22(15-19-10-6-4-7-11-19)27-25(32)35-16-20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3,(H,26,29)(H,27,32)(H,30,31)(H2,28,33,34)/t18-,21-,22+/m0/s1
• InChIKey: PREBTZMCCRSQJI-YUXAGFNASA-N

Properties

• Density: 1.269g/cm³ (Cal.)