(2S,5S)-5-Amino-2-[[(2S)-2-Amino-3-[(5S)-5-(Isoquinoline-1-Carbonyl)-1-Cyclohexenyl]Propanoyl]Amino]-6-(4-Hydroxyphenyl)-4-Oxo-3-Phenylhexanoic Acid
[CAS# 146369-65-5]

Identification

• Name: (2S,5S)-5-Amino-2-[[(2S)-2-Amino-3-[(5S)-5-(Isoquinoline-1-Carbonyl)-1-Cyclohexenyl]Propanoyl]Amino]-6-(4-Hydroxyphenyl)-4-Oxo-3-Phenylhexanoic Acid
• Synonyms: (2S,5S)-5-Amino-2-[[(2S)-2-Amino-3-[(5S)-5-(Isoquinoline-1-Carbonyl)-1-Cyclohexenyl]Propanoyl]Amino]-6-(4-Hydroxyphenyl)-4-Oxo-3-Phenyl-Hexanoic Acid; (2S,5S)-5-Amino-2-[[(2S)-2-Amino-3-[(5S)-5-(1-Isoquinolyl-Oxomethyl)-1-Cyclohexenyl]-1-Oxopropyl]Amino]-6-(4-Hydroxyphenyl)-4-Oxo-3-Phenylhexanoic Acid; (2S,5S)-5-Amino-2-[[(2S)-2-Amino-3-[(5S)-5-(Isoquinoline-1-Carbonyl)-1-Cyclohexenyl]Propanoyl]Amino]-6-(4-Hydroxyphenyl)-4-Keto-3-Phenyl-Hexanoic Acid
• Molecular Formula: C₃₇H₃₈N₄O₆
• Molecular Weight: 634.73
• CAS Registry Number: 146369-65-5
• SMILES: [C@H](NC(=O)[C@@H](N)CC3=CCC[C@H](C(=O)C1=C2C(=CC=N1)C=CC=C2)C3)(C(C(=O)[C@@H](N)CC4=CC=C(O)C=C4)C5=CC=CC=C5)C(=O)O
• InChI: 1S/C37H38N4O6/c38-29(20-22-13-15-27(42)16-14-22)35(44)31(25-9-2-1-3-10-25)33(37(46)47)41-36(45)30(39)21-23-7-6-11-26(19-23)34(43)32-28-12-5-4-8-24(28)17-18-40-32/h1-5,7-10,12-18,26,29-31,33,42H,6,11,19-21,38-39H2,(H,41,45)(H,46,47)/t26-,29-,30-,31?,33-/m0/s1
• InChIKey: FOOLAFMOWXAVCC-AWFVPORVSA-N
• Protein Sequence: H-Tyr-Tic-Phe-Phe-OH

Properties

• Density: 1.317g/cm³ (Cal.)
• Boiling point: 901.682°C at 760 mmHg (Cal.)
• Flash point: 499.119°C (Cal.)