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Biotin-PEG4-amido-methyltetrazine

Name: Biotin-PEG4-amido-methyltetrazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

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* Please be kindly noted products are not for therapeutic use. We do not sell to patients.

Purity	98%
IUPAC Name	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[2-[[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Canonical SMILES	CC1=NN=C(N=N1)C2=CC=C(C=C2)CC(=O)NCCOCCOCCOCCOCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4
InChI	InChI=1S/C31H46N8O7S/c1-22-36-38-30(39-37-22)24-8-6-23(7-9-24)20-28(41)33-11-13-44-15-17-46-19-18-45-16-14-43-12-10-32-27(40)5-3-2-4-26-29-25(21-47-26)34-31(42)35-29/h6-9,25-26,29H,2-5,10-21H2,1H3,(H,32,40)(H,33,41)(H2,34,35,42)/t25-,26-,29-/m0/s1
InChIKey	QRSYEABVWKQKTN-ZEZDXWPOSA-N

Storage

-20 °C

XLogP3	-0.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	23
Exact Mass	674.32101701 g/mol
Monoisotopic Mass	674.32101701 g/mol
Topological Polar Surface Area	213Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	924
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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