Chemical Components in the PDB

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ORT : Summary

Code

ORT

One-letter code

X

Molecule name

(4~{S})-4-azanyl-5-oxidanylidene-pentanehydrazide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S})-2-azanyl-5-diazanyl-5-oxidanylidene-pentanoic acid

Formula

C5 H11 N3 O3

Formal charge

0

Molecular weight

161.159 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NNC(=O)CC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C(CC(=O)NN)C(C(=O)O)N
Canonical SMILES CACTVS 3.385 NNC(=O)CC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C(CC(=O)NN)[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C5H11N3O3/c6-3(5(10)11)1-2-4(9)8-7/h3H,1-2,6-7H2,(H,8,9)(H,10,11)/t3-/m0/s1

IUPAC InChI key

MOFBPUBBBREDCE-VKHMYHEASA-N
ORT

wwPDB Information

Atom count

22 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-04-01

Last modified at

2024-06-28

Status

Released

Obsoleted

Not Assigned