Chemical Components in the PDB

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ZLH : Summary

Code

ZLH

One-letter code

X

Molecule name

(2S)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide
OpenEye OEToolkits 2.0.7 (2~{R})-~{N}-(cyclopropylmethyl)-4-(furan-2-ylcarbonyl)-2-methyl-piperazine-1-carboxamide

Formula

C15 H21 N3 O3

Formal charge

0

Molecular weight

291.346 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(N1CCN(C(=O)NCC2CC2)C(C)C1)c1ccco1
SMILES CACTVS 3.385 C[CH]1CN(CCN1C(=O)NCC2CC2)C(=O)c3occc3
SMILES OpenEye OEToolkits 2.0.7 CC1CN(CCN1C(=O)NCC2CC2)C(=O)c3ccco3
Canonical SMILES CACTVS 3.385 C[C@@H]1CN(CCN1C(=O)NCC2CC2)C(=O)c3occc3
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@@H]1CN(CCN1C(=O)NCC2CC2)C(=O)c3ccco3

IUPAC InChI

InChI=1S/C15H21N3O3/c1-11-10-17(14(19)13-3-2-8-21-13)6-7-18(11)15(20)16-9-12-4-5-12/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,16,20)/t11-/m0/s1

IUPAC InChI key

ICUJAPAHFNAKBW-NSHDSACASA-N
ZLH

wwPDB Information

Atom count

42 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-03-14

Last modified at

2023-03-24

Status

Released

Obsoleted

Not Assigned