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59Z

Summary
Name:{2-[(phosphonomethyl)carbamoyl]-1H-benzo[g]indol-1-yl}acetic acid
Formula:C16 H15 N2 O6 P
Formal charge:0
Formula weight:362.274 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{2-[(phosphonomethyl)carbamoyl]-1H-benzo[g]indol-1-yl}acetic acid
OpenEye OEToolkits1.9.22-[2-(phosphonomethylcarbamoyl)benzo[g]indol-1-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(NC(c2cc3ccc1c(cccc1)c3n2CC(O)=O)=O)P(O)(=O)O
InChIInChI1.03InChI=1S/C16H15N2O6P/c19-14(20)8-18-13(16(21)17-9-25(22,23)24)7-11-6-5-10-3-1-2-4-12(10)15(11)18/h1-7H,8-9H2,(H,17,21)(H,19,20)(H2,22,23,24)
InChIKeyInChI1.03JUZJWGPHICAWME-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)Cn1c(cc2ccc3ccccc3c12)C(=O)NC[P](O)(O)=O
SMILESCACTVS3.385OC(=O)Cn1c(cc2ccc3ccccc3c12)C(=O)NC[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc2c(c1)ccc3c2n(c(c3)C(=O)NCP(=O)(O)O)CC(=O)O
SMILESOpenEye OEToolkits1.9.2c1ccc2c(c1)ccc3c2n(c(c3)C(=O)NCP(=O)(O)O)CC(=O)O

218853

PDB entries from 2024-04-24

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