N-(4-Hydroxyphenethyl)-6-(6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanamido)hexanamide
[CAS# 851113-28-5]

Identification

• Name: N-(4-Hydroxyphenethyl)-6-(6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanamido)hexanamide
• Synonyms: Biotin-Ahx-Ahx-Tyramide
• Molecular Formula: C₃₀H₄₇N₅O₅S
• Molecular Weight: 589.80
• CAS Registry Number: 851113-28-5
• SMILES: C1C2C(C(S1)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCC3=CC=C(C=C3)O)NC(=O)N2
• InChI: 1S/C30H47N5O5S/c36-23-15-13-22(14-16-23)17-20-33-28(39)11-4-2-8-18-31-26(37)10-3-1-7-19-32-27(38)12-6-5-9-25-29-24(21-41-25)34-30(40)35-29/h13-16,24-25,29,36H,1-12,17-21H2,(H,31,37)(H,32,38)(H,33,39)(H2,34,35,40)/t24-,25-,29-/m0/s1
• InChIKey: AONIROLXOSTVPV-QEMZJVQQSA-N