(4S)-4-Amino-5-[[(2S)-1-[[(2S)-1-(Carboxymethylamino)-1-Oxopropan-2-Yl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 33135-70-5]

Identification

• Name: (4S)-4-Amino-5-[[(2S)-1-[[(2S)-1-(Carboxymethylamino)-1-Oxopropan-2-Yl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (4S)-4-Amino-5-[[(1S)-2-[[(1S)-2-(Carboxymethylamino)-1-Methyl-2-Oxo-Ethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-Amino-5-[[(1S)-2-[[(1S)-2-(Carboxymethylamino)-1-Methyl-2-Oxoethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-Amino-5-[[(1S)-2-[[(1S)-2-(Carboxymethylamino)-2-Keto-1-Methyl-Ethyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₉H₂₆N₄O₈
• Molecular Weight: 438.44
• CAS Registry Number: 33135-70-5
• SMILES: [C@H](C(NCC(=O)O)=O)(NC([C@@H](NC([C@@H](N)CCC(=O)O)=O)CC1=CC=C(O)C=C1)=O)C
• InChI: 1S/C19H26N4O8/c1-10(17(29)21-9-16(27)28)22-19(31)14(8-11-2-4-12(24)5-3-11)23-18(30)13(20)6-7-15(25)26/h2-5,10,13-14,24H,6-9,20H2,1H3,(H,21,29)(H,22,31)(H,23,30)(H,25,26)(H,27,28)/t10-,13-,14-/m0/s1
• InChIKey: XKNUSTBMTDCPMA-BPNCWPANSA-N

Properties

• Density: 1.396g/cm³ (Cal.)
• Boiling point: 961.419°C at 760 mmHg (Cal.)
• Flash point: 535.247°C (Cal.)