Chemical Components in the PDB

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N73 : Summary

Code

N73

One-letter code

X

Molecule name

(2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide

Formula

C20 H24 N2 O5 S

Formal charge

0

Molecular weight

404.48 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)ON([CH](C(C)C)C(=O)N=O)[S](=O)(=O)c1ccc(cc1)c2ccccc2
SMILES OpenEye OEToolkits 2.0.7 CC(C)C(C(=O)N=O)N(OC(C)C)S(=O)(=O)c1ccc(cc1)c2ccccc2
Canonical SMILES CACTVS 3.385 CC(C)ON([C@H](C(C)C)C(=O)N=O)[S](=O)(=O)c1ccc(cc1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)[C@H](C(=O)N=O)N(OC(C)C)S(=O)(=O)c1ccc(cc1)c2ccccc2

IUPAC InChI

InChI=1S/C20H24N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19H,1-4H3/t19-/m1/s1

IUPAC InChI key

JYURKDGMICGTJM-LJQANCHMSA-N
N73

wwPDB Information

Atom count

52 (28 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-12-19

Last modified at

2019-05-17

Status

Released

Obsoleted

Not Assigned