(2S)-2-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-(Hydroxy-Methylcarbamoyl)Sulfanyl-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 144810-23-1]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-(Hydroxy-Methylcarbamoyl)Sulfanyl-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[(Hydroxy-Methyl-Carbamoyl)Sulfanylmethyl]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[[(Hydroxy-Methylamino)-Oxomethyl]Thio]Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[(Hydroxy-Methyl-Carbamoyl)Thio]Methyl]-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₂H₂₀N₄O₈S
• Molecular Weight: 380.37
• CAS Registry Number: 144810-23-1
• SMILES: [C@@H](NC(=O)CC[C@H](N)C(=O)O)(C(=O)NCC(=O)O)CSC(=O)N(O)C
• InChI: 1S/C12H20N4O8S/c1-16(24)12(23)25-5-7(10(20)14-4-9(18)19)15-8(17)3-2-6(13)11(21)22/h6-7,24H,2-5,13H2,1H3,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/t6-,7-/m0/s1
• InChIKey: RITFSVQFPRZDHQ-BQBZGAKWSA-N

Properties

• Density: 1.534g/cm³ (Cal.)