(2S)-3-[[(2S)-1-Hydroxy-3-(3H-Imidazol-4-Yl)-1-Oxopropan-2-Yl]Amino]-2-[[(2S)-2-Methylamino-3-Phenylpropanoyl]Amino]Propanoic Acid
[CAS# 134019-80-0]

Identification

• Name: (2S)-3-[[(2S)-1-Hydroxy-3-(3H-Imidazol-4-Yl)-1-Oxopropan-2-Yl]Amino]-2-[[(2S)-2-Methylamino-3-Phenylpropanoyl]Amino]Propanoic Acid
• Synonyms: (2S)-3-[[(1S)-2-Hydroxy-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Amino]-2-[[(2S)-2-Methylamino-3-Phenyl-Propanoyl]Amino]Propanoic Acid; (2S)-3-[[(1S)-2-Hydroxy-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]-2-[[(2S)-2-Methylamino-1-Oxo-3-Phenylpropyl]Amino]Propanoic Acid; (2S)-3-[[(1S)-2-Hydroxy-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Amino]-2-[[(2S)-2-Methylamino-3-Phenyl-Propanoyl]Amino]Propionic Acid
• Molecular Formula: C₁₉H₂₅N₅O₅
• Molecular Weight: 403.44
• CAS Registry Number: 134019-80-0
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC)CC1=CC=CC=C1)=O)CN[C@@H](CC2=CN=C[NH]2)C(=O)O
• InChI: 1S/C19H25N5O5/c1-20-14(7-12-5-3-2-4-6-12)17(25)24-16(19(28)29)10-22-15(18(26)27)8-13-9-21-11-23-13/h2-6,9,11,14-16,20,22H,7-8,10H2,1H3,(H,21,23)(H,24,25)(H,26,27)(H,28,29)/t14-,15-,16-/m0/s1
• InChIKey: DCMPFCQPELYATG-JYJNAYRXSA-N

Properties

• Density: 1.343g/cm³ (Cal.)
• Boiling point: 799.646°C at 760 mmHg (Cal.)
• Flash point: 437.41°C (Cal.)