(2S)-2-Amino-5-[[(2R)-3-(2-Amino-5-Hydroxyphenyl)Sulfanyl-1-(Carboxymethylamino)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 129762-74-9]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-3-(2-Amino-5-Hydroxyphenyl)Sulfanyl-1-(Carboxymethylamino)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(1R)-1-[(2-Amino-5-Hydroxy-Phenyl)Sulfanylmethyl]-2-(Carboxymethylamino)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-1-[[(2-Amino-5-Hydroxyphenyl)Thio]Methyl]-2-(Carboxymethylamino)-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1R)-1-[[(2-Amino-5-Hydroxy-Phenyl)Thio]Methyl]-2-(Carboxymethylamino)-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₆H₂₂N₄O₇S
• Molecular Weight: 414.43
• CAS Registry Number: 129762-74-9
• SMILES: [C@@H](NC(=O)CC[C@H](N)C(=O)O)(C(=O)NCC(=O)O)CSC1=C(N)C=CC(=C1)O
• InChI: 1S/C16H22N4O7S/c17-9-2-1-8(21)5-12(9)28-7-11(15(25)19-6-14(23)24)20-13(22)4-3-10(18)16(26)27/h1-2,5,10-11,21H,3-4,6-7,17-18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t10-,11-/m0/s1
• InChIKey: GWRHLCBVVARMDR-QWRGUYRKSA-N

Properties

• Density: 1.532g/cm³ (Cal.)
• Boiling point: 892.478°C at 760 mmHg (Cal.)
• Flash point: 493.553°C (Cal.)