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Summary Geometry Related PDB entries

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Summary

Name:	N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
Formula:	C16 H21 N3 O3
Formal charge:	0
Formula weight:	303.356 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
OpenEye OEToolkits	2.0.7	(2~{R})-2-azanyl-~{N}-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-pentanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(ccc(cc1OC)NC(C(N)CC(C)C)=O)c2ocnc2
InChI	InChI	1.03	InChI=1S/C16H21N3O3/c1-10(2)6-13(17)16(20)19-11-4-5-12(14(7-11)21-3)15-8-18-9-22-15/h4-5,7-10,13H,6,17H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKey	InChI	1.03	SJVFDHNKYMMITG-CYBMUJFWSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1c2ocnc2
SMILES	CACTVS	3.385	COc1cc(NC(=O)[CH](N)CC(C)C)ccc1c2ocnc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)C[C@H](C(=O)Nc1ccc(c(c1)OC)c2cnco2)N
SMILES	OpenEye OEToolkits	2.0.7	CC(C)CC(C(=O)Nc1ccc(c(c1)OC)c2cnco2)N

222415

數據於2024-07-10公開中

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