Chemical Components in the PDB

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NC0 : Summary

Code

NC0

One-letter code

X

Molecule name

2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid
OpenEye OEToolkits 2.0.7 2-(2,3-dihydroindol-1-ylcarbonylamino)benzoic acid

Formula

C16 H14 N2 O3

Formal charge

0

Molecular weight

282.294 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)c1ccccc1NC(=O)N1CCc2ccccc21
SMILES CACTVS 3.385 OC(=O)c1ccccc1NC(=O)N2CCc3ccccc23
SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)CCN2C(=O)Nc3ccccc3C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)c1ccccc1NC(=O)N2CCc3ccccc23
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)CCN2C(=O)Nc3ccccc3C(=O)O

IUPAC InChI

InChI=1S/C16H14N2O3/c19-15(20)12-6-2-3-7-13(12)17-16(21)18-10-9-11-5-1-4-8-14(11)18/h1-8H,9-10H2,(H,17,21)(H,19,20)

IUPAC InChI key

SEVISWFLUIXPLQ-UHFFFAOYSA-N
NC0

wwPDB Information

Atom count

35 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-05-05

Last modified at

2023-06-09

Status

Released

Obsoleted

Not Assigned