(4S)-4-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-[(2R)-2-Hydroxy-2-Phenylethanethioyl]Sulfanyl-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 140234-19-1]

Identification

• Name: (4S)-4-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-[(2R)-2-Hydroxy-2-Phenylethanethioyl]Sulfanyl-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (4S)-4-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[(2R)-2-Hydroxy-2-Phenyl-Ethanethioyl]Sulfanylmethyl]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[[(2R)-2-Hydroxy-2-Phenyl-1-Thioxoethyl]Thio]Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[[(2R)-2-Hydroxy-2-Phenyl-Thioacetyl]Thio]Methyl]-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₈H₂₃N₃O₇S₂
• Molecular Weight: 457.52
• CAS Registry Number: 140234-19-1
• SMILES: [C@H](C(NCC(=O)O)=O)(NC([C@@H](N)CCC(=O)O)=O)CSC([C@@H](C1=CC=CC=C1)O)=S
• InChI: 1S/C18H23N3O7S2/c19-11(6-7-13(22)23)16(27)21-12(17(28)20-8-14(24)25)9-30-18(29)15(26)10-4-2-1-3-5-10/h1-5,11-12,15,26H,6-9,19H2,(H,20,28)(H,21,27)(H,22,23)(H,24,25)/t11-,12-,15+/m0/s1
• InChIKey: SLZDZGFRJOKHIL-SLEUVZQESA-N

Properties

• Density: 1.475g/cm³ (Cal.)
• Boiling point: 880.57°C at 760 mmHg (Cal.)
• Flash point: 486.351°C (Cal.)