N-[(2R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-L-cysteine
[CAS# 7196-09-0]

Identification

• Name: N-[(2R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-L-cysteine
• Synonyms: (R)-4'-Phosphopantothenoyl-L-cysteine; N-[(R)-4-phosphopantothenoyl]-L-cysteine; N-[(R)-4'-Phosphopantothenoyl]-L-cysteine
• Molecular Formula: C₁₂H₂₃N₂O₉PS
• Molecular Weight: 402.36
• CAS Registry Number: 7196-09-0
• SMILES: O=C(O)[C@@H](NC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)O)CS
• InChI: 1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/t7-,9-/m0/s1
• InChIKey: XQYALQVLCNHCFT-CBAPKCEASA-N

Properties

• Density: 1.485g/cm³ (Cal.)