(2S)-2-[[(2R)-6-Amino-2-[(2,3-Dihydroxybenzoyl)Amino]Hexanoyl]Amino]-3-Hydroxypropanoic Acid
[CAS# 120124-51-8]

Identification

• Name: (2S)-2-[[(2R)-6-Amino-2-[(2,3-Dihydroxybenzoyl)Amino]Hexanoyl]Amino]-3-Hydroxypropanoic Acid
• Synonyms: (2S)-2-[[(2R)-6-Amino-2-[(2,3-Dihydroxybenzoyl)Amino]Hexanoyl]Amino]-3-Hydroxy-Propanoic Acid; (2S)-2-[[(2R)-6-Amino-2-[[(2,3-Dihydroxyphenyl)-Oxomethyl]Amino]-1-Oxohexyl]Amino]-3-Hydroxypropanoic Acid; (2S)-2-[[(2R)-6-Amino-2-[(2,3-Dihydroxybenzoyl)Amino]Hexanoyl]Amino]-3-Hydroxy-Propionic Acid
• Molecular Formula: C₁₆H₂₃N₃O₇
• Molecular Weight: 369.37
• CAS Registry Number: 120124-51-8
• SMILES: [C@H](NC(=O)C1=CC=CC(=C1O)O)(C(=O)N[C@H](C(=O)O)CO)CCCCN
• InChI: 1S/C16H23N3O7/c17-7-2-1-5-10(15(24)19-11(8-20)16(25)26)18-14(23)9-4-3-6-12(21)13(9)22/h3-4,6,10-11,20-22H,1-2,5,7-8,17H2,(H,18,23)(H,19,24)(H,25,26)/t10-,11+/m1/s1
• InChIKey: NNTXFOAPABMVEG-MNOVXSKESA-N

Properties

• Density: 1.414g/cm³ (Cal.)
• Boiling point: 740.146°C at 760 mmHg (Cal.)
• Flash point: 401.426°C (Cal.)