Chemical Components in the PDB

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CDT : Summary

Code

CDT

One-letter code

X

Molecule name

4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID

Synonyms

N-CARBAMYL-D-METHIONINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-carbamoyl-D-methionine
OpenEye OEToolkits 1.5.0 (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoic acid

Formula

C6 H12 N2 O3 S

Formal charge

0

Molecular weight

192.236 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(NC(C(=O)O)CCSC)N
SMILES CACTVS 3.341 CSCC[CH](NC(N)=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CSCCC(C(=O)O)NC(=O)N
Canonical SMILES CACTVS 3.341 CSCC[C@@H](NC(N)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CSCC[C@H](C(=O)O)NC(=O)N

IUPAC InChI

InChI=1S/C6H12N2O3S/c1-12-3-2-4(5(9)10)8-6(7)11/h4H,2-3H2,1H3,(H,9,10)(H3,7,8,11)/t4-/m1/s1

IUPAC InChI key

DEWDMTSMCKXBNP-SCSAIBSYSA-N
CDT

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-05-28

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned