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- ChemComp-ZZD: S-TRITYL-L-CYSTEINE -

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Basic information

EntryDatabase: PDB chemical components / ID: ZZD
NameName: S-trityl-L-cysteine

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Chemical information

Composition
Formula: C22H21NO2S / Number of atoms: 47 / Formula weight: 363.473 / Formal charge: 0
Others

2wog

CYS

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: C / Three letter code: ZZD / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2WOG / Parent comp.: CYS
History
Create componentJul 23, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify one letter codeMay 7, 2019
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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(O)C(N)CSC(c1ccccc1)(c2ccccc2)c3ccccc3
CACTVS 3.352N[CH](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(O)=O
OpenEye OEToolkits 1.6.1c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SCC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.352N[C@@H](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(O)=O
OpenEye OEToolkits 1.6.1c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1

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InChIKey

InChI 1.03DLMYFMLKORXJPO-FQEVSTJZSA-N

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SYSTEMATIC NAME

ACDLabs 10.04S-trityl-L-cysteine
OpenEye OEToolkits 1.6.1(2R)-2-amino-3-tritylsulfanyl-propanoic acid

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PDB entries

Showing all 2 items

PDB-2wog:
Intermediate and final states of human kinesin Eg5 in complex with S-trityl-L-cysteine

PDB-3ken:
Human Eg5 in complex with S-trityl-L-cysteine

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