Chemical Components in the PDB

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G5L : Summary

Code

G5L

One-letter code

X

Molecule name

7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid

Formula

C18 H15 N O4

Formal charge

0

Molecular weight

309.316 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN(Cc1ccccc1)c2ccc3C=C(C(O)=O)C(=O)Oc3c2
SMILES OpenEye OEToolkits 2.0.7 CN(Cc1ccccc1)c2ccc3c(c2)OC(=O)C(=C3)C(=O)O
Canonical SMILES CACTVS 3.385 CN(Cc1ccccc1)c2ccc3C=C(C(O)=O)C(=O)Oc3c2
Canonical SMILES OpenEye OEToolkits 2.0.7 CN(Cc1ccccc1)c2ccc3c(c2)OC(=O)C(=C3)C(=O)O

IUPAC InChI

InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)

IUPAC InChI key

XTKDQPFUOFAMRL-UHFFFAOYSA-N
G5L

wwPDB Information

Atom count

38 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-07-28

Last modified at

2020-12-18

Status

Released

Obsoleted

Not Assigned