Analyte Name

Biotin-4-DAD-amide

Molecular Formula

C19H32N4O4S2

Molecular Weight

444.61

Accurate Mass

444.19

SMILES

O=C1N[C@H]2[C@@H](N1)CS[C@H]2CCCCC(N[C@@H]3[C@@H]([C@@H](SC3)CCCCC(O)=O)N)=O

InChI

InChI=1S/C19H32N4O4S2/c20-17-11(9-28-13(17)5-2-4-8-16(25)26)21-15(24)7-3-1-6-14-18-12(10-29-14)22-19(27)23-18/h11-14,17-18H,1-10,20H2,(H,21,24)(H,25,26)(H2,22,23,27)/t11-,12-,13-,14-,17-,18-/m0/s1

IUPAC

5-((2S,3S,4R)-3-amino-4-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)tetrahydrothiophen-2-yl)pentanoic acid

Alternate CAS Number

2731041-93-1

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat