(2S)-2-Amino-5-[[(2R)-3-[2-(4-Azidophenyl)-2-Oxoethyl]Sulfanyl-1-(Carboxymethylamino)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 73322-71-1]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-3-[2-(4-Azidophenyl)-2-Oxoethyl]Sulfanyl-1-(Carboxymethylamino)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(1R)-1-[[2-(4-Azidophenyl)-2-Oxo-Ethyl]Sulfanylmethyl]-2-(Carboxymethylamino)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-1-[[[2-(4-Azidophenyl)-2-Oxoethyl]Thio]Methyl]-2-(Carboxymethylamino)-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1R)-1-[[[2-(4-Azidophenyl)-2-Keto-Ethyl]Thio]Methyl]-2-(Carboxymethylamino)-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₈H₂₂N₆O₇S
• Molecular Weight: 466.47
• CAS Registry Number: 73322-71-1
• SMILES: [N+](=NC1=CC=C(C(=O)CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C=C1)=[N-]
• InChI: 1S/C18H22N6O7S/c19-12(18(30)31)5-6-15(26)22-13(17(29)21-7-16(27)28)8-32-9-14(25)10-1-3-11(4-2-10)23-24-20/h1-4,12-13H,5-9,19H2,(H,21,29)(H,22,26)(H,27,28)(H,30,31)/t12-,13-/m0/s1
• InChIKey: POHHFIIXXRDDJW-STQMWFEESA-N