(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]-[6-[[(2S)-2-Amino-4-Methylpentanoyl]-[(2S)-2-Amino-3-Phenylpropanoyl]Amino]Hexyl]Amino]-8-Formamido-2-(Phenylmethyl)Octanoic Acid
[CAS# 134283-52-6]

Identification

• Name: (2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]-[6-[[(2S)-2-Amino-4-Methylpentanoyl]-[(2S)-2-Amino-3-Phenylpropanoyl]Amino]Hexyl]Amino]-8-Formamido-2-(Phenylmethyl)Octanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]-[6-[[(2S)-2-Amino-4-Methyl-Pentanoyl]-[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]Hexyl]Amino]-8-Formamido-2-(Phenylmethyl)Octanoic Acid; (2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]-[6-[[(2S)-2-Amino-4-Methyl-1-Oxopentyl]-[(2S)-2-Amino-1-Oxo-3-Phenylpropyl]Amino]Hexyl]Amino]-8-Formamido-2-(Phenylmethyl)Octanoic Acid; (2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]-[6-[[(2S)-2-Amino-4-Methyl-Pentanoyl]-[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]Hexyl]Amino]-2-(Benzyl)-8-Formamido-Caprylic Acid
• Molecular Formula: C₄₆H₆₆N₆O₇
• Molecular Weight: 815.06
• CAS Registry Number: 134283-52-6
• SMILES: [C@@](C(=O)O)(N(C([C@@H](N)CC1=CC=C(O)C=C1)=O)CCCCCCN(C([C@@H](N)CC2=CC=CC=C2)=O)C([C@@H](N)CC(C)C)=O)(CC3=CC=CC=C3)CCCCCCNC=O
• InChI: 1S/C46H66N6O7/c1-34(2)29-39(47)42(55)51(43(56)40(48)30-35-17-9-7-10-18-35)27-15-5-6-16-28-52(44(57)41(49)31-36-21-23-38(54)24-22-36)46(45(58)59,32-37-19-11-8-12-20-37)25-13-3-4-14-26-50-33-53/h7-12,17-24,33-34,39-41,54H,3-6,13-16,25-32,47-49H2,1-2H3,(H,50,53)(H,58,59)/t39-,40-,41-,46-/m0/s1
• InChIKey: LVQPGYOBBGNZEP-AKCYGPDLSA-N

Properties

• Density: 1.18g/cm³ (Cal.)
• Boiling point: 1004.714°C at 760 mmHg (Cal.)
• Flash point: 561.431°C (Cal.)