(4S)-4-[[(2S)-2-Amino-3-Phenylpropanoyl]Amino]-5-[[(2S)-1-(Carboxymethylamino)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 32440-94-1]

Identification

• Name: (4S)-4-[[(2S)-2-Amino-3-Phenylpropanoyl]Amino]-5-[[(2S)-1-(Carboxymethylamino)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (4S)-4-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]-5-[[(1S)-2-(Carboxymethylamino)-1-Methyl-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S)-2-Amino-1-Oxo-3-Phenylpropyl]Amino]-5-[[(1S)-2-(Carboxymethylamino)-1-Methyl-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]-5-[[(1S)-2-(Carboxymethylamino)-2-Keto-1-Methyl-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₉H₂₆N₄O₇
• Molecular Weight: 422.44
• CAS Registry Number: 32440-94-1
• SMILES: [C@H](C(NCC(=O)O)=O)(NC([C@@H](NC([C@@H](N)CC1=CC=CC=C1)=O)CCC(=O)O)=O)C
• InChI: 1S/C19H26N4O7/c1-11(17(28)21-10-16(26)27)22-19(30)14(7-8-15(24)25)23-18(29)13(20)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,20H2,1H3,(H,21,28)(H,22,30)(H,23,29)(H,24,25)(H,26,27)/t11-,13-,14-/m0/s1
• InChIKey: PMDVRXNLBUTEFB-UBHSHLNASA-N

Properties

• Density: 1.338g/cm³ (Cal.)
• Boiling point: 897.47°C at 760 mmHg (Cal.)
• Flash point: 496.572°C (Cal.)