2-[[(2S)-1-(Carboxymethylamino)-1-Oxo-3-Phenylpropan-2-Yl]Amino]-6-(Phenylmethoxycarbonylamino)Hexanoic Acid
[CAS# 121613-01-2]

Identification

• Name: 2-[[(2S)-1-(Carboxymethylamino)-1-Oxo-3-Phenylpropan-2-Yl]Amino]-6-(Phenylmethoxycarbonylamino)Hexanoic Acid
• Synonyms: 2-[[(1S)-2-(Carboxymethylamino)-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-6-(Phenylmethoxycarbonylamino)Hexanoic Acid; 2-[[(1S)-2-(Carboxymethylamino)-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-6-[[Oxo-(Phenylmethoxy)Methyl]Amino]Hexanoic Acid; 2-[[(1S)-1-(Benzyl)-2-(Carboxymethylamino)-2-Keto-Ethyl]Amino]-6-(Benzyloxycarbonylamino)Hexanoic Acid
• Molecular Formula: C₂₅H₃₁N₃O₇
• Molecular Weight: 485.54
• CAS Registry Number: 121613-01-2
• SMILES: [C@H](C(NCC(=O)O)=O)(NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)O)CC2=CC=CC=C2
• InChI: 1S/C25H31N3O7/c29-22(30)16-27-23(31)21(15-18-9-3-1-4-10-18)28-20(24(32)33)13-7-8-14-26-25(34)35-17-19-11-5-2-6-12-19/h1-6,9-12,20-21,28H,7-8,13-17H2,(H,26,34)(H,27,31)(H,29,30)(H,32,33)/t20?,21-/m0/s1
• InChIKey: PUMZVPXPQCBTAM-LBAQZLPGSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 801.781°C at 760 mmHg (Cal.)
• Flash point: 438.701°C (Cal.)