Chemical Components in the PDB

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VZP : Summary

Code

VZP

One-letter code

X

Molecule name

N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea
OpenEye OEToolkits 2.0.7 1-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-1-methyl-3-propan-2-yl-urea

Formula

C9 H18 N2 O3 S

Formal charge

0

Molecular weight

234.316 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(C1CCS(C1)(=O)=O)(C(=O)NC(C)C)C
SMILES CACTVS 3.385 CC(C)NC(=O)N(C)[CH]1CC[S](=O)(=O)C1
SMILES OpenEye OEToolkits 2.0.7 CC(C)NC(=O)N(C)C1CCS(=O)(=O)C1
Canonical SMILES CACTVS 3.385 CC(C)NC(=O)N(C)[C@@H]1CC[S](=O)(=O)C1
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1

IUPAC InChI

InChI=1S/C9H18N2O3S/c1-7(2)10-9(12)11(3)8-4-5-15(13,14)6-8/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1

IUPAC InChI key

RMWFRPZNASSVCZ-MRVPVSSYSA-N
VZP

wwPDB Information

Atom count

33 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-09-24

Last modified at

2021-01-08

Status

Released

Obsoleted

Not Assigned