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Yorodumi- ChemComp-CCR: [N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: CCR |
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Name | Name: [ Synonyms: CRC200 (CHIRON-BEHRING) |
-BIRD information
Type | Peptide-like / Trypsin Inhibitor |
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Downloads | Molecular definition / Chemical definition / Family definition |
Synonyms |
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Annotation |
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External info |
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Family | benzamidine-based piperidine containing inhibitors N(alpha)-(2-naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide / [N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE |
-Chemical information
Composition | Formula: C29H39N5O7S / Number of atoms: 81 / Formula weight: 601.714 / Formal charge: 0 | ||||||||
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Others | Type: peptide-like / PDB classification: HETAIN / Three letter code: CCR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1K1N / Subcomponent: 02B, ASP, APH, PIP | ||||||||
History |
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External links | UniChem / ChemSpider / ChEMBL / CompTox / DrugBank / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.0 | ( | |
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