Chemical Components in the PDB

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V2X : Summary

Code

V2X

One-letter code

X

Molecule name

(1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide

Formula

C13 H16 N2 O2

Formal charge

0

Molecular weight

232.278 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(=O)NNC(=O)[CH]1C[CH]1c2cccc(C)c2
SMILES OpenEye OEToolkits 2.0.7 Cc1cccc(c1)C2CC2C(=O)NNC(=O)C
Canonical SMILES CACTVS 3.385 CC(=O)NNC(=O)[C@H]1C[C@@H]1c2cccc(C)c2
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1cccc(c1)[C@H]2C[C@@H]2C(=O)NNC(=O)C

IUPAC InChI

InChI=1S/C13H16N2O2/c1-8-4-3-5-10(6-8)11-7-12(11)13(17)15-14-9(2)16/h3-6,11-12H,7H2,1-2H3,(H,14,16)(H,15,17)/t11-,12+/m1/s1

IUPAC InChI key

ZZBMEPNWKSBENV-NEPJUHHUSA-N
V2X

wwPDB Information

Atom count

33 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-02-21

Last modified at

2023-11-10

Status

Released

Obsoleted

Not Assigned