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A1LZA : Summary

Code

A1LZA

One-letter code

X

Molecule name

5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one

Formula

C24 H26 N4 O

Formal charge

0

Molecular weight

386.489 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1ccccc1CN2CCN3C4=C(CN(CC4)Cc5ccccc5)C(=O)N=C23
SMILES OpenEye OEToolkits 2.0.7 Cc1ccccc1CN2CCN3C2=NC(=O)C4=C3CCN(C4)Cc5ccccc5
Canonical SMILES CACTVS 3.385 Cc1ccccc1CN2CCN3C4=C(CN(CC4)Cc5ccccc5)C(=O)N=C23
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccccc1CN2CCN3C2=NC(=O)C4=C3CCN(C4)Cc5ccccc5

IUPAC InChI

InChI=1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-27-13-14-28-22-11-12-26(15-19-8-3-2-4-9-19)17-21(22)23(29)25-24(27)28/h2-10H,11-17H2,1H3

IUPAC InChI key

CPQVAKZHOMXNHY-UHFFFAOYSA-N
A1LZA

wwPDB Information

Atom count

55 (29 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2024-03-16

Last modified at

2024-05-10

Status

Released

Obsoleted

Not Assigned