Chemical Components in the PDB

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142 : Summary

Code

142

One-letter code

X

Molecule name

CARBIDOPA

Synonyms

KINSON
3-(3,4-DIHYDROXY-PHENYL)-2-HYDRAZINO-2-METHYL-PROPIONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazino-2-methylpropanoic acid
OpenEye OEToolkits 1.5.0 (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methyl-propanoic acid

Formula

C10 H14 N2 O4

Formal charge

0

Molecular weight

226.229 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(NN)(Cc1cc(O)c(O)cc1)C
SMILES CACTVS 3.341 C[C](Cc1ccc(O)c(O)c1)(NN)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(Cc1ccc(c(c1)O)O)(C(=O)O)NN
Canonical SMILES CACTVS 3.341 C[C@@](Cc1ccc(O)c(O)c1)(NN)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@](Cc1ccc(c(c1)O)O)(C(=O)O)NN

IUPAC InChI

InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1

IUPAC InChI key

TZFNLOMSOLWIDK-JTQLQIEISA-N
142

wwPDB Information

Atom count

30 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-08-23

Last modified at

2020-05-26

Status

Released

Obsoleted

Not Assigned