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V87 : Summary
Code
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V87
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One-letter code
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X
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Molecule name
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N-(4-phenylbutyl)formamide
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Systematic names
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Formula
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C11 H15 N O
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Formal charge
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0
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Molecular weight
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177.243 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
C(NCCCCc1ccccc1)=O |
SMILES
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CACTVS |
3.385 |
O=CNCCCCc1ccccc1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc(cc1)CCCCNC=O |
Canonical SMILES
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CACTVS |
3.385 |
O=CNCCCCc1ccccc1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc(cc1)CCCCNC=O |
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IUPAC InChI | InChI=1S/C11H15NO/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,12,13) |
IUPAC InChI key | FSDTVSVBONVQBJ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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28 (13 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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non-polymer
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2020-07-14
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Last modified at
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2020-09-11
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Status
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Released
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Obsoleted
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Not Assigned
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