Chemical Components in the PDB

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ZOY : Summary

Code

ZOY

One-letter code

X

Molecule name

N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide
OpenEye OEToolkits 2.0.7 ~{N}-[(4~{S})-4,5-bis(azanyl)-5-oxidanylidene-pentyl]-10-phenyl-decanamide

Formula

C21 H35 N3 O2

Formal charge

0

Molecular weight

361.522 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NC(=O)C(N)CCCNC(=O)CCCCCCCCCc1ccccc1
SMILES CACTVS 3.385 N[CH](CCCNC(=O)CCCCCCCCCc1ccccc1)C(N)=O
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CCCCCCCCCC(=O)NCCCC(C(=O)N)N
Canonical SMILES CACTVS 3.385 N[C@@H](CCCNC(=O)CCCCCCCCCc1ccccc1)C(N)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CCCCCCCCCC(=O)NCCC[C@@H](C(=O)N)N

IUPAC InChI

InChI=1S/C21H35N3O2/c22-19(21(23)26)15-11-17-24-20(25)16-10-5-3-1-2-4-7-12-18-13-8-6-9-14-18/h6,8-9,13-14,19H,1-5,7,10-12,15-17,22H2,(H2,23,26)(H,24,25)/t19-/m0/s1

IUPAC InChI key

PXLGZFSIHCIIGA-IBGZPJMESA-N
ZOY

wwPDB Information

Atom count

61 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-05-18

Last modified at

2022-03-25

Status

Released

Obsoleted

Not Assigned