(2S)-2-[[(2S)-2-[(2-Aminoacetyl)Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoic Acid
[CAS# 112898-27-8]

Identification

• Name: (2S)-2-[[(2S)-2-[(2-Aminoacetyl)Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-[(2-Amino-1-Oxoethyl)Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]Propanoic Acid; (2S)-2-[[(2S)-2-(Glycylamino)-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propionic Acid; (2S)-2-[[(2S)-2-(2-Aminoethanoylamino)-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoic Acid
• Molecular Formula: C₁₄H₁₉N₃O₅
• Molecular Weight: 309.32
• CAS Registry Number: 112898-27-8
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC(CN)=O)CC1=CC=C(O)C=C1)=O)C
• InChI: 1S/C14H19N3O5/c1-8(14(21)22)16-13(20)11(17-12(19)7-15)6-9-2-4-10(18)5-3-9/h2-5,8,11,18H,6-7,15H2,1H3,(H,16,20)(H,17,19)(H,21,22)/t8-,11-/m0/s1
• InChIKey: UIQGJYUEQDOODF-KWQFWETISA-N

Properties

• Density: 1.341g/cm³ (Cal.)
• Boiling point: 735.497°C at 760 mmHg (Cal.)
• Flash point: 398.614°C (Cal.)