Biotinyltyramide

Catalog Number

ACM41994029-1

CAS

41994-02-9

Structure

Synonyms

Biotin-Phenol,BP,N-(4-Hydroxyphenethyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentamide

IUPAC Name

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pentanamide

Molecular Weight

363.5

Molecular Formula

C18H25N3O3S

Canonical SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC3=CC=C(C=C3)O)NC(=O)N2

InChI

InChI=1S/C18H25N3O3S/c22-13-7-5-12(6-8-13)9-10-19-16(23)4-2-1-3-15-17-14(11-25-15)20-18(24)21-17/h5-8,14-15,17,22H,1-4,9-11H2,(H,19,23)(H2,20,21,24)/t14-,15-,17-/m0/s1

InChI Key

VZWXNOBHWODXCW-ZOBUZTSGSA-N

Melting Point

735.8 ± 60.0 °C

Purity

97%+

Density

1.227 ± 0.06 g/ml

Appearance

White solid

Storage

Stored at -20 °C

• Catalog Number: ACM41994029-1
• CAS: 41994-02-9
• Synonyms: Biotin-Phenol,BP,N-(4-Hydroxyphenethyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentamide
• IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pentanamide
• Molecular Weight: 363.5
• Molecular Formula: C18H25N3O3S
• Canonical SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC3=CC=C(C=C3)O)NC(=O)N2
• InChI: InChI=1S/C18H25N3O3S/c22-13-7-5-12(6-8-13)9-10-19-16(23)4-2-1-3-15-17-14(11-25-15)20-18(24)21-17/h5-8,14-15,17,22H,1-4,9-11H2,(H,19,23)(H2,20,21,24)/t14-,15-,17-/m0/s1
• InChI Key: VZWXNOBHWODXCW-ZOBUZTSGSA-N
• Melting Point: 735.8 ± 60.0 °C
• Purity: 97%+
• Density: 1.227 ± 0.06 g/ml
• Appearance: White solid
• Storage: Stored at -20 °C