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RJD : Summary

Code

RJD

One-letter code

X

Molecule name

(3S,6S)-N~3~-cyclopropyl-N~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (3S,6S)-N~3~-cyclopropyl-N~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide
OpenEye OEToolkits 2.0.6 (3~{S},6~{S})-~{N}3-cyclopropyl-~{N}1-(cyclopropylmethyl)-3,6-dimethyl-piperazine-1,3-dicarboxamide

Formula

C15 H26 N4 O2

Formal charge

0

Molecular weight

294.393 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C1(CC1)NC(C3(CN(C(NCC2CC2)=O)C(C)CN3)C)=O
SMILES CACTVS 3.385 C[CH]1CN[C](C)(CN1C(=O)NCC2CC2)C(=O)NC3CC3
SMILES OpenEye OEToolkits 2.0.6 CC1CNC(CN1C(=O)NCC2CC2)(C)C(=O)NC3CC3
Canonical SMILES CACTVS 3.385 C[C@H]1CN[C@@](C)(CN1C(=O)NCC2CC2)C(=O)NC3CC3
Canonical SMILES OpenEye OEToolkits 2.0.6 C[C@H]1CN[C@](CN1C(=O)NCC2CC2)(C)C(=O)NC3CC3

IUPAC InChI

InChI=1S/C15H26N4O2/c1-10-7-17-15(2,13(20)18-12-5-6-12)9-19(10)14(21)16-8-11-3-4-11/h10-12,17H,3-9H2,1-2H3,(H,16,21)(H,18,20)/t10-,15-/m0/s1

IUPAC InChI key

SXNUQDJHCXDWNX-BONVTDFDSA-N
RJD

wwPDB Information

Atom count

47 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-02-12

Last modified at

2020-04-03

Status

Released

Obsoleted

Not Assigned