RCSB PDB - L6C Ligand Summary Page

L6C

phenyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate

Created: 2013-02-11
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count1
Bond Count36
Aromatic Bond Count12
2D diagram of L6C

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Chemical Component Summary

Namephenyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
Systematic Name (OpenEye OEToolkits)phenyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
FormulaC16 H15 N O3
Molecular Weight269.295
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(Oc1ccccc1)NC(c2ccccc2)CC=O
SMILESCACTVS3.385O=CC[CH](NC(=O)Oc1ccccc1)c2ccccc2
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)C(CC=O)NC(=O)Oc2ccccc2
Canonical SMILESCACTVS3.385 O=CC[C@@H](NC(=O)Oc1ccccc1)c2ccccc2
Canonical SMILESOpenEye OEToolkits1.9.2 c1ccc(cc1)[C@@H](CC=O)NC(=O)Oc2ccccc2
InChIInChI1.03 InChI=1S/C16H15NO3/c18-12-11-15(13-7-3-1-4-8-13)17-16(19)20-14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H,17,19)/t15-/m1/s1
InChIKeyInChI1.03 HHWCOMIRIZKFCW-OAHLLOKOSA-N

Related Resource References

Resource NameReference
PubChem 78225384