Chemical Components in the PDB

pdbe.org/chem
spacer

SLA : Summary

Code

SLA

One-letter code

X

Molecule name

Omuralide, open form

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde
OpenEye OEToolkits 1.7.6 (2R,3S,4R)-4-methyl-2-[(1S)-2-methyl-1-oxidanyl-propyl]-3-oxidanyl-5-oxidanylidene-pyrrolidine-2-carbaldehyde

Formula

C10 H17 N O4

Formal charge

0

Molecular weight

215.246 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=CC1(NC(=O)C(C1O)C)C(O)C(C)C
SMILES CACTVS 3.385 CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C=O
SMILES OpenEye OEToolkits 1.7.6 CC1C(C(NC1=O)(C=O)C(C(C)C)O)O
Canonical SMILES CACTVS 3.385 CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C[C@@H]1[C@@H]([C@@](NC1=O)(C=O)[C@H](C(C)C)O)O

IUPAC InChI

InChI=1S/C10H17NO4/c1-5(2)7(13)10(4-12)8(14)6(3)9(15)11-10/h4-8,13-14H,1-3H3,(H,11,15)/t6-,7+,8+,10-/m1/s1

IUPAC InChI key

NREVXJAQSWMFJZ-CHIQAWFVSA-N
SLA

wwPDB Information

Atom count

32 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-06-04

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned