(2R)-2-[[(4S)-4-[(2-Aminoacetyl)Amino]-5-Hydroxy-5-Oxopentanoyl]Amino]-3-Hydroxy-3-(Hydroxymethyl)-4-(4-Nitrophenoxy)-2-(Sulfanylmethyl)Butanoic Acid
[CAS# 134564-85-5]

Identification

• Name: (2R)-2-[[(4S)-4-[(2-Aminoacetyl)Amino]-5-Hydroxy-5-Oxopentanoyl]Amino]-3-Hydroxy-3-(Hydroxymethyl)-4-(4-Nitrophenoxy)-2-(Sulfanylmethyl)Butanoic Acid
• Synonyms: (2R)-2-[[(4S)-4-[(2-Aminoacetyl)Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-3-Hydroxy-3-(Hydroxymethyl)-4-(4-Nitrophenoxy)-2-(Sulfanylmethyl)Butanoic Acid; (2R)-2-[[(4S)-4-[(2-Amino-1-Oxoethyl)Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]-3-Hydroxy-3-(Hydroxymethyl)-2-(Mercaptomethyl)-4-(4-Nitrophenoxy)Butanoic Acid; (2R)-2-[[(4S)-4-(Glycylamino)-5-Hydroxy-5-Keto-Pentanoyl]Amino]-3-Hydroxy-2-(Mercaptomethyl)-3-Methylol-4-(4-Nitrophenoxy)Butyric Acid
• Molecular Formula: C₁₉H₂₆N₄O₁₁S
• Molecular Weight: 518.49
• CAS Registry Number: 134564-85-5
• SMILES: [C@@](C(=O)O)(NC(CC[C@@H](C(=O)O)NC(CN)=O)=O)(CS)C(CO)(COC1=CC=C(C=C1)[N+](=O)[O-])O
• InChI: 1S/C19H26N4O11S/c20-7-15(26)21-13(16(27)28)5-6-14(25)22-19(10-35,17(29)30)18(31,8-24)9-34-12-3-1-11(2-4-12)23(32)33/h1-4,13,24,31,35H,5-10,20H2,(H,21,26)(H,22,25)(H,27,28)(H,29,30)/t13-,18?,19-/m0/s1
• InChIKey: VEVMUSLHHIEHRV-IMWIMMFESA-N

Properties

• Density: 1.535g/cm³ (Cal.)
• Boiling point: 1025.708°C at 760 mmHg (Cal.)
• Flash point: 574.128°C (Cal.)