Chemical Components in the PDB

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M7O : Summary

Code

M7O

One-letter code

X

Molecule name

2-[(phenylmethyl)carbamoylamino]benzoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-[(phenylmethyl)carbamoylamino]benzoic acid

Formula

C15 H14 N2 O3

Formal charge

0

Molecular weight

270.283 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)c1ccccc1NC(=O)NCc2ccccc2
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)CNC(=O)Nc2ccccc2C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)c1ccccc1NC(=O)NCc2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)CNC(=O)Nc2ccccc2C(=O)O

IUPAC InChI

InChI=1S/C15H14N2O3/c18-14(19)12-8-4-5-9-13(12)17-15(20)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)(H2,16,17,20)

IUPAC InChI key

QCLRLHJAKXQKSY-UHFFFAOYSA-N
M7O

wwPDB Information

Atom count

34 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-01-06

Last modified at

2017-02-10

Status

Released

Obsoleted

Not Assigned