PDB Chemical Component SU1

Ideal Model

Chemical Description

Name 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE
Synonyms SU5402
Formula C17 H16 N2 O3
Formal charge 0
Molecular weight 296.321 g/mol
Component type NON-POLYMER

Chemical features

Atom count 38
Chiral atom count 0
Bond count 40
Aromatic bond count 11

Chemical Identifiers

Systematic name (ACDLabs) 3-{4-methyl-2-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid
Systematic name (OpenEye OEToolkits) 3-[4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid

Chemical Descriptors

Stereo SMILES (CACTVS) Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1CCC(O)=O
SMILES (CACTVS) Cc1c[nH]c(C=C2C(=O)Nc3ccccc23)c1CCC(O)=O
Stereo SMILES (OpenEye) Cc1c[nH]c(c1CCC(=O)O)\C=C/2\c3ccccc3NC2=O
InChI descriptor InChI=1/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-/f/h19-20H
InChIKey descriptor JNDVEAXZWJIOKB-CBCRNVOEDW

Status Information

Last modified 2008-10-14
Created 1999-07-08
Release status REL
Model PDB code 1FGI
Processing site RCSB