2-[4-[[(2S)-2-[[4-(Aminomethyl)Cyclohexanecarbonyl]Amino]-3-Phenylpropanoyl]Amino]Phenyl]Acetic Acid Hydrochloride
[CAS# 128837-71-8]

Identification

• Name: 2-[4-[[(2S)-2-[[4-(Aminomethyl)Cyclohexanecarbonyl]Amino]-3-Phenylpropanoyl]Amino]Phenyl]Acetic Acid Hydrochloride
• Synonyms: 2-[4-[[(2S)-2-[[4-(Aminomethyl)Cyclohexanecarbonyl]Amino]-3-Phenyl-Propanoyl]Amino]Phenyl]Acetic Acid Hydrochloride; 2-[4-[[(2S)-2-[[[4-(Aminomethyl)Cyclohexyl]-Oxomethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]Phenyl]Acetic Acid Hydrochloride; 2-[4-[[(2S)-2-[[4-(Aminomethyl)Cyclohexyl]Carbonylamino]-3-Phenyl-Propanoyl]Amino]Phenyl]Ethanoic Acid Hydrochloride
• Molecular Formula: C₂₅H₃₂ClN₃O₄
• Molecular Weight: 474.00
• CAS Registry Number: 128837-71-8
• SMILES: [C@H](NC(=O)C1CCC(CC1)CN)(CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CC(O)=O.[H+].[Cl-]
• InChI: 1S/C25H31N3O4.ClH/c26-16-19-6-10-20(11-7-19)24(31)28-22(14-17-4-2-1-3-5-17)25(32)27-21-12-8-18(9-13-21)15-23(29)30;/h1-5,8-9,12-13,19-20,22H,6-7,10-11,14-16,26H2,(H,27,32)(H,28,31)(H,29,30);1H/t19?,20?,22-;/m0./s1
• InChIKey: NAXNMKUKSBHHMP-QCXPCDNBSA-N

Properties

• Boiling point: 763.1°C at 760 mmHg (Cal.)
• Flash point: 415.3°C (Cal.)