FDL

N~6~-acetyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-lysinamide

Created: 2012-10-11
Last modified:  2024-09-27

Find related ligands:

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count1
Bond Count49
Aromatic Bond Count6
2D diagram of FDL

Chemical Component Summary

NameN~6~-acetyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-lysinamide
Systematic Name (OpenEye OEToolkits)(2S)-6-acetamido-2-azanyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)hexanamide
FormulaC18 H23 N3 O4
Molecular Weight345.393
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(NCCCCC(N)C(=O)Nc2ccc1c(OC(=O)C=C1C)c2)C
SMILESCACTVS3.370CC(=O)NCCCC[CH](N)C(=O)Nc1ccc2C(=CC(=O)Oc2c1)C
SMILESOpenEye OEToolkits1.7.6CC1=CC(=O)Oc2c1ccc(c2)NC(=O)C(CCCCNC(=O)C)N
Canonical SMILESCACTVS3.370 CC(=O)NCCCC[C@H](N)C(=O)Nc1ccc2C(=CC(=O)Oc2c1)C
Canonical SMILESOpenEye OEToolkits1.7.6 CC1=CC(=O)Oc2c1ccc(c2)NC(=O)[C@H](CCCCNC(=O)C)N
InChIInChI1.03 InChI=1S/C18H23N3O4/c1-11-9-17(23)25-16-10-13(6-7-14(11)16)21-18(24)15(19)5-3-4-8-20-12(2)22/h6-7,9-10,15H,3-5,8,19H2,1-2H3,(H,20,22)(H,21,24)/t15-/m0/s1
InChIKeyInChI1.03 CDFJPCDMYIJWOC-HNNXBMFYSA-N

Related Resource References

Resource NameReference
PubChem 10091262