Chemical Components in the PDB

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F1Z : Summary

Code

F1Z

One-letter code

X

Molecule name

ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate

Formula

C15 H19 N3 O3

Formal charge

0

Molecular weight

289.33 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(N)cc1
SMILES OpenEye OEToolkits 2.0.6 CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(cc1)N
Canonical SMILES CACTVS 3.385 CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(N)cc1
Canonical SMILES OpenEye OEToolkits 2.0.6 CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(cc1)N

IUPAC InChI

InChI=1S/C15H19N3O3/c1-3-9-18(11-12-5-7-13(16)8-6-12)15(20)17-10-14(19)21-4-2/h1,5-8H,4,9-11,16H2,2H3,(H,17,20)

IUPAC InChI key

XRVDTFOBXOWARD-UHFFFAOYSA-N
F1Z

wwPDB Information

Atom count

40 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-05-17

Last modified at

2018-11-02

Status

Released

Obsoleted

Not Assigned