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57Q : Summary
Code
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57Q
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One-letter code
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X
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Molecule name
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3-(2-phenyl-1H-indol-1-yl)propanoic acid
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Systematic names
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Formula
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C17 H15 N O2
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Formal charge
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0
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Molecular weight
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265.306 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(CCn1c(cc2c1cccc2)c3ccccc3)O |
SMILES
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CACTVS |
3.385 |
OC(=O)CCn1c2ccccc2cc1c3ccccc3 |
SMILES
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OpenEye OEToolkits |
1.9.2 |
c1ccc(cc1)c2cc3ccccc3n2CCC(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
OC(=O)CCn1c2ccccc2cc1c3ccccc3 |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
c1ccc(cc1)c2cc3ccccc3n2CCC(=O)O |
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IUPAC InChI | InChI=1S/C17H15NO2/c19-17(20)10-11-18-15-9-5-4-8-14(15)12-16(18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20) |
IUPAC InChI key | CPWLVJORIJEUHI-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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35 (20 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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2015-08-12
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Last modified at
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2016-06-17
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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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