Chemical Components in the PDB

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YRA : Summary

Code

YRA

One-letter code

X

Molecule name

3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide

Formula

C16 H17 Cl N2 O

Formal charge

0

Molecular weight

288.772 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=O)CCNCc1ccc(c(Cl)c1)c2ccccc2
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)N
Canonical SMILES CACTVS 3.385 NC(=O)CCNCc1ccc(c(Cl)c1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)N

IUPAC InChI

InChI=1S/C16H17ClN2O/c17-15-10-12(11-19-9-8-16(18)20)6-7-14(15)13-4-2-1-3-5-13/h1-7,10,19H,8-9,11H2,(H2,18,20)

IUPAC InChI key

ZYJVPHMDRCBKBZ-UHFFFAOYSA-N
YRA

wwPDB Information

Atom count

37 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-12-14

Last modified at

2017-05-19

Status

Released

Obsoleted

Not Assigned