Chemical Components in the PDB

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E95 : Summary

Code

E95

One-letter code

X

Molecule name

7-Methyl-L-Tryptophan

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{S})-2-azanyl-3-(7-methyl-1~{H}-indol-3-yl)propanoic acid

Formula

C12 H14 N2 O2

Formal charge

0

Molecular weight

218.252 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1cccc2c(C[CH](N)C(O)=O)c[nH]c12
SMILES OpenEye OEToolkits 2.0.6 Cc1cccc2c1[nH]cc2CC(C(=O)O)N
Canonical SMILES CACTVS 3.385 Cc1cccc2c(C[C@H](N)C(O)=O)c[nH]c12
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1cccc2c1[nH]cc2C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C12H14N2O2/c1-7-3-2-4-9-8(6-14-11(7)9)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1

IUPAC InChI key

KBOZNJNHBBROHM-JTQLQIEISA-N
E95

wwPDB Information

Atom count

30 (16 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2018-03-06

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned