(2S)-1-[(2S)-2-[[(3R)-3,7-Diamino-2-Hydroxyheptanoyl]Amino]-4-Methylpentanoyl]Pyrrolidine-2-Carboxylic Acid
[CAS# 144732-34-3]

Identification

• Name: (2S)-1-[(2S)-2-[[(3R)-3,7-Diamino-2-Hydroxyheptanoyl]Amino]-4-Methylpentanoyl]Pyrrolidine-2-Carboxylic Acid
• Synonyms: (2S)-1-[(2S)-2-[[(3R)-3,7-Diamino-2-Hydroxy-Heptanoyl]Amino]-4-Methyl-Pentanoyl]Pyrrolidine-2-Carboxylic Acid; (2S)-1-[(2S)-2-[[(3R)-3,7-Diamino-2-Hydroxy-1-Oxoheptyl]Amino]-4-Methyl-1-Oxopentyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[(2S)-2-[[(3R)-3,7-Diamino-2-Hydroxy-Heptanoyl]Amino]-4-Methyl-Pentanoyl]Proline
• Molecular Formula: C₁₈H₃₄N₄O₅
• Molecular Weight: 386.49
• CAS Registry Number: 144732-34-3
• SMILES: [C@H]1(C(=O)O)N(CCC1)C([C@@H](NC(C([C@@H](CCCCN)N)O)=O)CC(C)C)=O
• InChI: 1S/C18H34N4O5/c1-11(2)10-13(17(25)22-9-5-7-14(22)18(26)27)21-16(24)15(23)12(20)6-3-4-8-19/h11-15,23H,3-10,19-20H2,1-2H3,(H,21,24)(H,26,27)/t12-,13+,14+,15?/m1/s1
• InChIKey: YNENOTWYRHCXGS-CXJJLCSMSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 710.235°C at 760 mmHg (Cal.)
• Flash point: 383.337°C (Cal.)