Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

7T2 : Summary

Code

7T2

One-letter code

F

Molecule name

(2S)-3-(4-chlorophenyl)-2-(methylamino)propanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S})-3-(4-chlorophenyl)-2-(methylamino)propanoic acid

Formula

C10 H12 Cl N O2

Formal charge

0

Molecular weight

213.661 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN[CH](Cc1ccc(Cl)cc1)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CNC(Cc1ccc(cc1)Cl)C(=O)O
Canonical SMILES CACTVS 3.385 CN[C@@H](Cc1ccc(Cl)cc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CN[C@@H](Cc1ccc(cc1)Cl)C(=O)O

IUPAC InChI

InChI=1S/C10H12ClNO2/c1-12-9(10(13)14)6-7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3,(H,13,14)/t9-/m0/s1

IUPAC InChI key

PVXYVWVFWHBBMH-VIFPVBQESA-N
7T2

wwPDB Information

Atom count

26 (14 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

PHE

Defined at

2021-10-22

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned