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- ChemComp-CDT: 4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: CDT
NameName: 4-methylsulfanyl-2-ureido-butyric acid / Synonyms: N-CARBAMYL-D-METHIONINE

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Chemical information

Composition
Formula: C6H12N2O3S / Number of atoms: 24 / Formula weight: 192.236 / Formal charge: 0
Others

1uf5

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CDT / Model coordinates PDB-ID: 1UF5
History
Create componentMay 28, 2003
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

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

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SMILES CANONICAL

CACTVS 3.341CSCC[C@@H](NC(N)=O)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@H](C(=O)O)NC(=O)N

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03DEWDMTSMCKXBNP-SCSAIBSYSA-N

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SYSTEMATIC NAME

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

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PDB entries

Showing all 2 items

PDB-1uf5:
Crystal structure of C171A/V236A Mutant of N-carbamyl-D-amino acid amidohydrolase complexed with N-carbamyl-D-methionine

PDB-5n3r:
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-(carbamoylamino)-4-methylsulfanylbutanoic acid

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