Methyl (2S,3R)-3-Hydroxy-2-[[(2R)-4-Methyl-2-[[(2S)-2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]-3-Phenylpropanoyl]Amino]Pentanoyl]Amino]Butanoate
[CAS# 151629-29-7]

Identification

• Name: Methyl (2S,3R)-3-Hydroxy-2-[[(2R)-4-Methyl-2-[[(2S)-2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]-3-Phenylpropanoyl]Amino]Pentanoyl]Amino]Butanoate
• Synonyms: Methyl (2S,3R)-2-[[(2R)-2-[[(2S)-2-(Tert-Butoxycarbonylamino)-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Hydroxy-Butanoate; (2S,3R)-2-[[(2R)-2-[[(2S)-2-[(Tert-Butoxy-Oxomethyl)Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-3-Hydroxybutanoic Acid Methyl Ester; (2S,3R)-2-[[(2R)-2-[[(2S)-2-(Tert-Butoxycarbonylamino)-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Hydroxy-Butyric Acid Methyl Ester
• Molecular Formula: C₂₅H₃₉N₃O₇
• Molecular Weight: 493.60
• CAS Registry Number: 151629-29-7
• SMILES: [C@H](C(=O)OC)(NC([C@H](NC([C@@H](NC(=O)OC(C)(C)C)CC1=CC=CC=C1)=O)CC(C)C)=O)[C@@H](C)O
• InChI: 1S/C25H39N3O7/c1-15(2)13-18(22(31)28-20(16(3)29)23(32)34-7)26-21(30)19(14-17-11-9-8-10-12-17)27-24(33)35-25(4,5)6/h8-12,15-16,18-20,29H,13-14H2,1-7H3,(H,26,30)(H,27,33)(H,28,31)/t16-,18-,19+,20+/m1/s1
• InChIKey: OYSMDYHXKMKFGB-LMCOJAPRSA-N

Properties

• Density: 1.148g/cm³ (Cal.)
• Boiling point: 732.103°C at 760 mmHg (Cal.)
• Flash point: 396.562°C (Cal.)

References

• (1): M. Doi, Y. In, M. Tanaka, M. Inoue and T. Ishida. Structure of Boc-Phe-D-Leu-Thr-OMe, Acta Cryst. (1993). C49, 1530-1532