Chemical Components in the PDB

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TTL : Summary

Code

TTL

One-letter code

X

Molecule name

TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL

Synonyms

TRANS-(1S,2S)-1-HYDROXY-2-AMINO-1,2,3,4 TETRAHYDRONAPHTHALENE, TRANS-(1S,2S)-2-AMINO-1-TETRALOL

Systematic names

ProgramVersionName
ACDLabs 10.04 (1S,2S)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol
OpenEye OEToolkits 1.5.0 (1S,2S)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol

Formula

C10 H13 N O

Formal charge

0

Molecular weight

163.216 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC2c1ccccc1CCC2N
SMILES CACTVS 3.341 N[CH]1CCc2ccccc2[CH]1O
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)CCC(C2O)N
Canonical SMILES CACTVS 3.341 N[C@H]1CCc2ccccc2[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)CC[C@@H]([C@H]2O)N

IUPAC InChI

InChI=1S/C10H13NO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10,12H,5-6,11H2/t9-,10-/m0/s1

IUPAC InChI key

IIMSEFZOOYSTDO-UWVGGRQHSA-N
TTL

wwPDB Information

Atom count

25 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-08-12

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned