AC1NSVQW

methyl 4-[[5-(2-acetamido-3-methoxy-3-oxopropyl)-1H-imidazol-2-yl]diazenyl]benzoate

Also Known As: Histidine, N-acetyl-2-[[4-methoxycarbonyl]phenylazo]-, methyl ester|Histidine, N-acetyl-2-[[4-methoxycarbonyl]phenylazo]-, methyl(ester)|methyl 4-[[5-(2-acetamido-3-methoxy-3-oxopropyl)-1H-imidazol-2-yl]diazenyl]benzoate|methyl 4-[2-[4-(2-acetamido-3-methoxy-3-oxopropyl)imidazol-2-ylidene]hydrazinyl]benzoate|Methyl 4-((E)-(5-[2-(acetylamino)-3-methoxy-3-oxopropyl]-1H-imidazol-2-yl)diazenyl)benzoate #|methyl 4-[(2E)-2-[4-(2-acetamido-3-methoxy-3-oxopropyl)imidazol-2-ylidene]hydrazinyl]benzoate|methyl 4-[(2Z)-2-[4-(2-acetamido-3-methoxy-3-oxopropyl)imidazol-2-ylidene]hydrazinyl]benzoate|Methyl 4-{(2E)-2-[4-(2-acetamido-3-methoxy-3-oxopropyl)-2H-imidazol-2-ylidene]hydrazin-1-yl}benzoate

Molecular Formula	C17H19N5O5
Molecular Weight	373.1386 g/mol
LogP	1.6
Topological Polar Surface Area	135.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	373.1386
Monoisotopic Mass	373.1386
Heavy Atoms	27
Complexity	562.0

Chemical Identifiers

CAS Number	39004-81-4
SMILES	CC(=O)NC(CC1=CN=C(N1)N=NC2=CC=C(C=C2)C(=O)OC)C(=O)OC
InChIKey	HPJZHERYAKXLMU-UHFFFAOYSA-N