Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester
[CAS# 128923-36-4]

Identification

• Name: Isovaleryl-valyl-valyl-leucine phosphinate-3-phenyllactic acid methyl ester
• Synonyms: [(1S)-2-Methoxy-2-Oxo-1-(Phenylmethyl)Ethoxy]-[(1R)-3-Methyl-1-[[(1S)-2-Methyl-1-[[(2S)-3-Methyl-2-(3-Methylbutanoylamino)Butanoyl]Carbamoyl]Propyl]Amino]Butyl]Phosphinic Acid; [(1S)-2-Methoxy-2-Oxo-1-(Phenylmethyl)Ethoxy]-[(1R)-3-Methyl-1-[[(1S)-2-Methyl-1-[[[(2S)-3-Methyl-2-[(3-Methyl-1-Oxobutyl)Amino]-1-Oxobutyl]Amino]-Oxomethyl]Propyl]Amino]Butyl]Phosphinic Acid; [(1S)-1-(Benzyl)-2-Keto-2-Methoxy-Ethoxy]-[(1R)-1-[[(1S)-1-[[(2S)-2-(Isovalerylamino)-3-Methyl-Butanoyl]Carbamoyl]-2-Methyl-Propyl]Amino]-3-Methyl-Butyl]Phosphinic Acid
• Molecular Formula: C₃₀H₅₀N₃O₈P
• Molecular Weight: 611.71
• CAS Registry Number: 128923-36-4
• SMILES: [C@H](C(=O)NC([C@@H](NC(CC(C)C)=O)C(C)C)=O)(N[C@@H](CC(C)C)[P](=O)(O[C@H](C(=O)OC)CC1=CC=CC=C1)O)C(C)C
• InChI: 1S/C30H50N3O8P/c1-18(2)15-24(34)31-26(20(5)6)28(35)33-29(36)27(21(7)8)32-25(16-19(3)4)42(38,39)41-23(30(37)40-9)17-22-13-11-10-12-14-22/h10-14,18-21,23,25-27,32H,15-17H2,1-9H3,(H,31,34)(H,38,39)(H,33,35,36)/t23-,25+,26-,27-/m0/s1
• InChIKey: AQGRRBUUEPSSGI-KMQNXVAFSA-N

Properties

• Density: 1.138g/cm³ (Cal.)