Chemical Components in the PDB

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1G8 : Summary

Code

1G8

One-letter code

X

Molecule name

4-(aminomethyl)-D-phenylalanine

Systematic names

ProgramVersionName
ACDLabs 12.01 4-(aminomethyl)-D-phenylalanine
OpenEye OEToolkits 1.7.6 (2R)-3-[4-(aminomethyl)phenyl]-2-azanyl-propanoic acid

Formula

C10 H14 N2 O2

Formal charge

0

Molecular weight

194.23 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)Cc1ccc(cc1)CN
SMILES CACTVS 3.370 NCc1ccc(C[CH](N)C(O)=O)cc1
SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1CC(C(=O)O)N)CN
Canonical SMILES CACTVS 3.370 NCc1ccc(C[C@@H](N)C(O)=O)cc1
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1C[C@H](C(=O)O)N)CN

IUPAC InChI

InChI=1S/C10H14N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m1/s1

IUPAC InChI key

GNVNKFUEUXUWDV-SECBINFHSA-N

Is part of

1G6
1G8

wwPDB Information

Atom count

28 (14 without Hydrogen)

Polymer type

Amino Acid

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2013-01-22

Last modified at

2019-12-11

Status

Released

Obsoleted

Not Assigned