Chemical Components in the PDB

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E8G : Summary

Code

E8G

One-letter code

X

Molecule name

(2S)-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{S})-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-4-methyl-~{N}-oxidanyl-pentanamide

Formula

C16 H25 N3 O3

Formal charge

0

Molecular weight

307.388 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)C[CH](NC(=O)NCc1cccc(C)c1C)C(=O)NO
SMILES OpenEye OEToolkits 2.0.6 Cc1cccc(c1C)CNC(=O)NC(CC(C)C)C(=O)NO
Canonical SMILES CACTVS 3.385 CC(C)C[C@H](NC(=O)NCc1cccc(C)c1C)C(=O)NO
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1cccc(c1C)CNC(=O)N[C@@H](CC(C)C)C(=O)NO

IUPAC InChI

InChI=1S/C16H25N3O3/c1-10(2)8-14(15(20)19-22)18-16(21)17-9-13-7-5-6-11(3)12(13)4/h5-7,10,14,22H,8-9H2,1-4H3,(H,19,20)(H2,17,18,21)/t14-/m0/s1

IUPAC InChI key

OHCMBYBSFAJCOD-AWEZNQCLSA-N
E8G

wwPDB Information

Atom count

47 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-07-27

Last modified at

2018-07-27

Status

Released

Obsoleted

Not Assigned