Cysteinyl-Lysyl-Asparaginyl-Phenylalanine
[CAS# 91853-93-9]

Identification

• Name: Cysteinyl-Lysyl-Asparaginyl-Phenylalanine
• Synonyms: (2S)-2-[[(2S)-4-Amino-2-[[(2S)-6-Amino-2-[[(2R)-2-Amino-3-Sulfanyl-Propanoyl]Amino]Hexanoyl]Amino]-4-Oxo-Butanoyl]Amino]-3-Phenyl-Propanoic Acid; (2S)-2-[[(2S)-4-Amino-2-[[(2S)-6-Amino-2-[[(2R)-2-Amino-3-Mercapto-1-Oxopropyl]Amino]-1-Oxohexyl]Amino]-1,4-Di
• Molecular Formula: C₂₂H₃₄N₆O₆S
• Molecular Weight: 510.61
• CAS Registry Number: 91853-93-9
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](N)CS)=O)CCCCN)=O)CC(=O)N)=O)CC1=CC=CC=C1
• InChI: 1S/C22H34N6O6S/c23-9-5-4-8-15(26-19(30)14(24)12-35)20(31)27-16(11-18(25)29)21(32)28-17(22(33)34)10-13-6-2-1-3-7-13/h1-3,6-7,14-17,35H,4-5,8-12,23-24H2,(H2,25,29)(H,26,30)(H,27,31)(H,28,32)(H,33,34)/t14-,15-,16-,17-/m0/s1
• InChIKey: IFMZMDAHXSSNLT-QAETUUGQSA-N

Properties

• Density: 1.311g/cm³ (Cal.)
• Boiling point: 948.476°C at 760 mmHg (Cal.)
• Flash point: 527.419°C (Cal.)