Chemical Components in the PDB

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LTN : Summary

Code

LTN

One-letter code

X

Molecule name

L-TRYPTOPHANAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 L-tryptophanamide
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-(1H-indol-3-yl)propanamide

Formula

C11 H13 N3 O

Formal charge

0

Molecular weight

203.24 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(N)C(N)Cc2c1ccccc1nc2
SMILES CACTVS 3.341 N[CH](Cc1c[nH]c2ccccc12)C(N)=O
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c(c[nH]2)CC(C(=O)N)N
Canonical SMILES CACTVS 3.341 N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N)N

IUPAC InChI

InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1

IUPAC InChI key

JLSKPBDKNIXMBS-VIFPVBQESA-N
LTN

wwPDB Information

Atom count

28 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-08-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned