AG00IA2D

56353-15-2 | L-Histidine, N-acetyl-b-alanyl-

AG00IA2D

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CAS Number	56353-15-2
Catalog Number	AG00IA2D(AGN-PC-0SLFV6)
Chemical Name	L-Histidine, N-acetyl-b-alanyl-
EC Number	260-123-2
IUPAC Name	(2S)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
InChI	InChI=1S/C11H16N4O4/c1-7(16)13-3-2-10(17)15-9(11(18)19)4-8-5-12-6-14-8/h5-6,9H,2-4H2,1H3,(H,12,14)(H,13,16)(H,15,17)(H,18,19)/t9-/m0/s1
InChI Key	BKAYIFDRRZZKNF-VIFPVBQESA-N
MDL Number	MFCD04039376
Molecular Formula	C11H16N4O4
Molecular Weight	268.2691
SMILES	O=C(O)[C@@H](NC(CCNC(C)=O)=O)CC1=CNC=N1
UNII	0TPN86OQIF
Synonyms	CL 1700, N-acetyl-L-carnosine aluminum, N-acetylcarnosine, N-acetylcarnosine, (DL)-isomer, N-Acetyl-L-carnosine, 56353-15-2, N-Acetylcarnosine, Acetylcarnosine, N-Acetyl carnosine, (S)-2-(3-Acetamidopropanamido)-3-(1H-imidazol-4-yl)propanoic acid, UNII-0TPN86OQIF, 0TPN86OQIF, N-acetyl-beta-alanyl-L-histidine, N-a-acetyl-N-b-alanyl-L-histidine, A-1080, W-105525, N-Acetyl camosine, (S)-2-(3-Acetamidopropanamido)-3-(1H-imidazol-5-yl)propanoic acid, (2S)-2-{[3-(acetylamino)propanoyl]amino}-3-(1H-imidazol-5-yl)propanoic acid, Can-C, Canc, EINECS 260-123-2, N-(N-Acetyl-beta-alanyl)-L-histidine, CL 1700, SCHEMBL2513184, CHEBI:67249, CTK8B6856, DTXSID30204897, BKAYIFDRRZZKNF-VIFPVBQESA-N, L-Histidine, N-acetyl-b-alanyl-, N-(N-Acetyl-|A-alanyl)histidine, N-(N-Acetyl-beta-alanyl)histidine, BCP19530, KS-00000KN0, ZINC2525827, ANW-54620, GM8692, MFCD04039376, AKOS016001331, AKOS025402233, AC-6754, API0025060, AS-15852, BC686964, SC-16470, Nalpha-(N-Acetyl-beta-alanyl)-L-histidine, AB0017990, AX8034104, TC-143365, NAC, N-|A-Acetyl-N-|A-alanyl-L-histidine, M-1443, X-1246, 353A152, C-58433, (S)-2-(3-Acetamidopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid, (S)-2-(3-Acetylamino-propionylamino)-3-(3H-imidazol-4-yl)-propionic acid, (2S)-2-{[3-(Acetylamino)propanoyl]amino}-3-(1H-imidazol-5-yl)propanoic acid, AldrichCPR, C11H16N4O4, C11-H16-N4-O4, CID9903482, R096, Bis(2,4-dimethylpentane-2,4-glycolato)diboron, (S)-2-(3-Acetamidopropanamido)-3-(1H-imidazol-4-yl)propanoicacid, 230299-46-4, NAC,

Complexity	348
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	268.117g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	268.273g/mol
Monoisotopic Mass	268.117g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	124A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.5

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