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Summary Geometry Related PDB entries

FDL

Summary

Name:	N~6~-acetyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-lysinamide
Formula:	C18 H23 N3 O4
Formal charge:	0
Formula weight:	345.393 Da
Component type:	L-PEPTIDE LINKING

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N~6~-acetyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-lysinamide
OpenEye OEToolkits	1.7.6	(2S)-6-acetamido-2-azanyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)hexanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCCCCC(N)C(=O)Nc2ccc1c(OC(=O)C=C1C)c2)C
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
SMILES_CANONICAL	CACTVS	3.370	CC(=O)NCCCC[C@H](N)C(=O)Nc1ccc2C(=CC(=O)Oc2c1)C
SMILES	CACTVS	3.370	CC(=O)NCCCC[CH](N)C(=O)Nc1ccc2C(=CC(=O)Oc2c1)C
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CC1=CC(=O)Oc2c1ccc(c2)NC(=O)[C@H](CCCCNC(=O)C)N
SMILES	OpenEye OEToolkits	1.7.6	CC1=CC(=O)Oc2c1ccc(c2)NC(=O)C(CCCCNC(=O)C)N

222036

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