Chemical Components in the PDB

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32L : Summary

Code

32L

One-letter code

X

Molecule name

ethyl (3S,4S)-4-amino-3-hydroxy-6-methylheptanoate

Systematic names

ProgramVersionName
ACDLabs 12.01 ethyl (3S,4S)-4-amino-3-hydroxy-6-methylheptanoate
OpenEye OEToolkits 1.7.6 ethyl (3S,4S)-4-azanyl-6-methyl-3-oxidanyl-heptanoate

Formula

C10 H21 N O3

Formal charge

0

Molecular weight

203.279 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(OCC)CC(O)C(N)CC(C)C
SMILES CACTVS 3.385 CCOC(=O)C[CH](O)[CH](N)CC(C)C
SMILES OpenEye OEToolkits 1.7.6 CCOC(=O)CC(C(CC(C)C)N)O
Canonical SMILES CACTVS 3.385 CCOC(=O)C[C@H](O)[C@@H](N)CC(C)C
Canonical SMILES OpenEye OEToolkits 1.7.6 CCOC(=O)C[C@@H]([C@H](CC(C)C)N)O

IUPAC InChI

InChI=1S/C10H21NO3/c1-4-14-10(13)6-9(12)8(11)5-7(2)3/h7-9,12H,4-6,11H2,1-3H3/t8-,9-/m0/s1

IUPAC InChI key

WHQQUBMCFYWHIS-IUCAKERBSA-N
32L

wwPDB Information

Atom count

35 (14 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2014-05-27

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned