NP

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Summary

Name:4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID
Formula:C14 H18 N2 O6
Formal charge:0
Molecular weight:310.303 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-{[(4-hydroxy-3-nitrophenyl)acetyl]amino}hexanoic acid
OpenEye OEToolkits1.5.06-[2-(4-hydroxy-3-nitro-phenyl)ethanoylamino]hexanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=[N+]([O-])c1cc(ccc1O)CC(=O)NCCCCCC(=O)O
SMILES_CANONICALCACTVS3.341OC(=O)CCCCCNC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O
SMILESCACTVS3.341OC(=O)CCCCCNC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(cc1CC(=O)NCCCCCC(=O)O)[N+](=O)[O-])O
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1CC(=O)NCCCCCC(=O)O)[N+](=O)[O-])O
InChIInChI1.03InChI=1S/C14H18N2O6/c17-12-6-5-10(8-11(12)16(21)22)9-13(18)15-7-3-1-2-4-14(19)20/h5-6,8,17H,1-4,7,9H2,(H,15,18)(H,19,20)
InChIKeyInChI1.03XAYGJFACOIKJCT-UHFFFAOYSA-N
167132
PDB entries from 2020-07-29