AG00IA9B

576-19-2 | L-Lysine,N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-

AG00IA9B

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CAS Number	576-19-2
Catalog Number	AG00IA9B(AGN-PC-0SO48G)
Chemical Name	L-Lysine,N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-
IUPAC Name	(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-aminohexanoic acid
InChI	InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1
InChI Key	BAQMYDQNMFBZNA-MNXVOIDGSA-N
MDL Number	MFCD00077319
Molecular Formula	C16H28N4O4S
Molecular Weight	372.4829
SMILES	O=C(O)[C@@H](N)CCCCNC(CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O)=O
UNII	G6D6147J22
Synonyms	biocytin, biotinyl-L-lysine, Biocytin, 576-19-2, N'-Biotinyl-L-lysine, H-Lys(biotinyl)-OH, Biotinyl-L-lysine, (+)-Biocytin, Ne-Biotynyl-L-lysine, UNII-G6D6147J22, C16H28N4O4S, epsilon-N-Biotinyl-L-lysine, G6D6147J22, N6-D-Biotinyl-L-lysine, N6-[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-L-Lysine, n6-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}-l-lysine, (2S)-6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamido}-2-aminohexanoic acid, biotinyllysin, N6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl)-L-lysine, AK112671, MFCD00077319, N-biotinyl-L-lysine, epsilon-N-biotinyllysine, pound;-Biotinoyl-L-lysine, N-epsilon-Biotin-L-lysine, AC1Q6FU7, N6-delta-Biotinyl-L-lysine, N(6)-D-biotinyl-L-lysine, N(epsilon)-biotinyl-L-lysine, SCHEMBL305707, N|A-(+)-Biotinyl-L-lysine, AC1L368F, Biocytin, >=98% (TLC), CHEBI:27870, CTK8F8133, BAQMYDQNMFBZNA-MNXVOIDGSA-N, L-Lysine, N6-(5-((3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)-, ZINC4096827, AKOS015915827, CS-7587, DS-5744, AJ-47992, AN-46025, BP-23273, AX8116725, HY-101884, B7376, FT-0622965, ST24048126, Z5921, 576B192, C-53488, I14-52157, N(6)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine, N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine, (2S)-6-[5-[(3aR,6S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoylamino]-2-aminohexanoic acid, (2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-amino-hexanoic acid, (2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-aminohexanoic acid, (3aS-(3aalpha,4beta,6aalpha))-N(6)-(5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)-L-lysine, (S)-2-Amino-6-(5-((3aS ,4S ,6aR )-2-oxohexahydro-1H-thieno[3,4-d ]imidazol-4-yl)pentanamido)hexanoic acid, (S)-2-amino-6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanoic acid, L-Lysine, N6-(5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)-, (3aS-(3aalpha,4beta,6aalpha))-, CID83814, AR-1K5663, C16-H28-N4-O4-S, ACN-026548, Biocytin, 95% - 100MG 100mg, 3558-69-8, BCT, BYT,

Complexity	491
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	372.183g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	372.484g/mol
Monoisotopic Mass	372.183g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	159A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number