N-[N-L-gamma-Glutamyl-S-(hydroxyphenylacetyl)-L-cysteinyl]-Glycine
[CAS# 50409-83-1]

Identification

• Name: N-[N-L-gamma-Glutamyl-S-(hydroxyphenylacetyl)-L-cysteinyl]-Glycine
• Synonyms: (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[(2-Hydroxy-2-Phenyl-Acetyl)Sulfanylmethyl]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[(2-Hydroxy-1-Oxo-2-Phenylethyl)Thio]Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[(2-Hydroxy-2-Phenyl-Acetyl)Thio]Methyl]-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₈H₂₃N₃O₈S
• Molecular Weight: 441.46
• CAS Registry Number: 50409-83-1
• SMILES: [C@H](C(O)=O)(N)CCC(N[C@@H](CSC(C(O)C1=CC=CC=C1)=O)C(=O)NCC(O)=O)=O
• InChI: 1S/C18H23N3O8S/c19-11(17(27)28)6-7-13(22)21-12(16(26)20-8-14(23)24)9-30-18(29)15(25)10-4-2-1-3-5-10/h1-5,11-12,15,25H,6-9,19H2,(H,20,26)(H,21,22)(H,23,24)(H,27,28)/t11-,12-,15?/m0/s1
• InChIKey: YUKXYNWSJMQEBV-GYZKLXCISA-N

Properties

• Density: 1.461g/cm³ (Cal.)
• Boiling point: 859.865°C at 760 mmHg (Cal.)
• Flash point: 473.83°C (Cal.)