AG0091Z6

Name: (3aS,4S,6aR)-Hexahydro-2-oxo-N-(15-oxo-3,6,9,12-tetraoxa-16-azanonadec-18-yn-1-yl)-1H-thieno[3,4-d]imidazole-4-pentanamide
Brand: Angene Chemical
SKU: AG0091Z6

1006592-45-5 | (3aS,4S,6aR)-Hexahydro-2-oxo-N-(15-oxo-3,6,9,12-tetraoxa-16-azanonadec-18-yn-1-yl)-1H-thieno[3,4-d]imidazole-4-pentanamide

Chemical structure of (3aS,4S,6aR)-Hexahydro-2-oxo-N-(15-oxo-3,6,9,12-tetraoxa-16-azanonadec-18-yn-1-yl)-1H-thieno[3,4-d]imidazole-4-pentanamide, CAS 1006592-45-5

AG0091Z6

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CAS Number	1006592-45-5
Catalog Number	AG0091Z6
Chemical Name	(3aS,4S,6aR)-Hexahydro-2-oxo-N-(15-oxo-3,6,9,12-tetraoxa-16-azanonadec-18-yn-1-yl)-1H-thieno[3,4-d]imidazole-4-pentanamide
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-[3-oxo-3-(prop-2-ynylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
InChI	InChI=1S/C24H40N4O7S/c1-2-8-25-22(30)7-10-32-12-14-34-16-17-35-15-13-33-11-9-26-21(29)6-4-3-5-20-23-19(18-36-20)27-24(31)28-23/h1,19-20,23H,3-18H2,(H,25,30)(H,26,29)(H2,27,28,31)/t19-,20-,23-/m0/s1
InChI Key	YJLJWRIKUZDUPV-JTAQYXEDSA-N
MDL Number	MFCD16621136
Molecular Formula	C24H40N4O7S
Molecular Weight	528.6620
SMILES	C1(=O)N[C@]2([H])[C@H](CCCCC(NCCOCCOCCOCCOCCC(=O)NCC#C)=O)SC[C@]2([H])N1
Synonyms	(3aS,4S,6aR)-hexahydro-2-oxo-N-(15-oxo-3,6,9,12-tetraoxa-16-azanonadec-18-yn-1-yl)-1H-thieno[3,4-d]imidazole-4-pentanamide, 1006592-45-5, Biotin-Alkyne, SCHEMBL16478513, BP-24298, 592A455, N-[15-[(2-Propynyl)amino]-15-oxo-3,6,9,12-tetraoxapentadecane-1-yl]-5-[2-oxo-1,3,3abeta,4,6,6abeta-hexahydro-2H-thieno[3,4-d]imidazole-4alpha-yl]pentanamide,

Complexity	718
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	528.262g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	528.665g/mol
Monoisotopic Mass	528.262g/mol
Rotatable Bond Count	21
Topological Polar Surface Area	162A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.1

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited