(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid, (2S)-2-amino-4-methyl-pentanoic acid, (2S)-2-amino-3-phenyl-propanoic acid, (2S)-2,6-diaminohexanoic acid
[CAS# 85987-45-7]

Identification

• Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid, (2S)-2-amino-4-methyl-pentanoic acid, (2S)-2-amino-3-phenyl-propanoic acid, (2S)-2,6-diaminohexanoic acid
• Synonyms: CP 530; CP-530
• Molecular Formula: C₃₂H₅₀N₆O₈
• Molecular Weight: 646.77
• CAS Registry Number: 85987-45-7
• SMILES: O=C(O)[C@@H](N)CCCCN.O=C(O)[C@@H](N)CC(C)C.O=C(O)[C@@H](N)Cc1ccccc1.O=C(O)[C@@H](N)Cc2c1ccccc1nc2
• InChI: 1S/C11H12N2O2.C9H11NO2.C6H14N2O2.C6H13NO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;10-8(9(11)12)6-7-4-2-1-3-5-7;7-4-2-1-3-5(8)6(9)10;1-4(2)3-5(7)6(8)9/h1-4,6,9,13H,5,12H2,(H,14,15);1-5,8H,6,10H2,(H,11,12);5H,1-4,7-8H2,(H,9,10);4-5H,3,7H2,1-2H3,(H,8,9)/t9-;8-;2*5-/m0000/s1
• InChIKey: SQRNPIANJIFEAW-CAVMLKOQSA-N

Properties

• Boiling point: 447.9°C at 760 mmHg (Cal.)
• Flash point: 224.7°C (Cal.)