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MX3

Summary
Name:(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACID
Synonyms:AZA-ASPARTATE-N-BENZYL-N-METHYL-ACRYLAMIDE
Formula:C14 H19 N3 O4
Formal charge:0
Formula weight:293.318 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1-{4-[benzyl(methyl)amino]-4-oxobutanoyl}hydrazino)acetic acid
OpenEye OEToolkits1.5.02-[amino-[4-(methyl-(phenylmethyl)amino)-4-oxo-butanoyl]amino]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CN(N)C(=O)CCC(=O)N(Cc1ccccc1)C
SMILES_CANONICALCACTVS3.341CN(Cc1ccccc1)C(=O)CCC(=O)N(N)CC(O)=O
SMILESCACTVS3.341CN(Cc1ccccc1)C(=O)CCC(=O)N(N)CC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CN(Cc1ccccc1)C(=O)CCC(=O)N(CC(=O)O)N
SMILESOpenEye OEToolkits1.5.0CN(Cc1ccccc1)C(=O)CCC(=O)N(CC(=O)O)N
InChIInChI1.03InChI=1S/C14H19N3O4/c1-16(9-11-5-3-2-4-6-11)12(18)7-8-13(19)17(15)10-14(20)21/h2-6H,7-10,15H2,1H3,(H,20,21)
InChIKeyInChI1.03WPWZLRZWAPNRKX-UHFFFAOYSA-N

222415

PDB entries from 2024-07-10

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