FDL
N~6~-acetyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-lysinamide
Created: | 2012-10-11 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 48 |
Chiral Atom Count | 1 |
Bond Count | 49 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | N~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 |
Formula | C18 H23 N3 O4 |
Molecular Weight | 345.393 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NCCCCC(N)C(=O)Nc2ccc1c(OC(=O)C=C1C)c2)C |
SMILES | CACTVS | 3.370 | CC(=O)NCCCC[CH](N)C(=O)Nc1ccc2C(=CC(=O)Oc2c1)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)Oc2c1ccc(c2)NC(=O)C(CCCCNC(=O)C)N |
Canonical SMILES | CACTVS | 3.370 | CC(=O)NCCCC[C@H](N)C(=O)Nc1ccc2C(=CC(=O)Oc2c1)C |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)Oc2c1ccc(c2)NC(=O)[C@H](CCCCNC(=O)C)N |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | CDFJPCDMYIJWOC-HNNXBMFYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 10091262 |