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Summary Geometry Related PDB entries

ZWG

Summary

Name:	N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide
Formula:	C19 H22 N4 O
Formal charge:	0
Formula weight:	322.404 Da
Component type:	non-polymer

Chemical Identifiers

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

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C)CC(N)C(=O)Nc1ccc(cc1)c1ccnc2[NH]ccc12
InChI	InChI	1.06	InChI=1S/C19H22N4O/c1-12(2)11-17(20)19(24)23-14-5-3-13(4-6-14)15-7-9-21-18-16(15)8-10-22-18/h3-10,12,17H,11,20H2,1-2H3,(H,21,22)(H,23,24)/t17-/m1/s1
InChIKey	InChI	1.06	DQDRFKODMABANK-QGZVFWFLSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)C[C@@H](N)C(=O)Nc1ccc(cc1)c2ccnc3[nH]ccc23
SMILES	CACTVS	3.385	CC(C)C[CH](N)C(=O)Nc1ccc(cc1)c2ccnc3[nH]ccc23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)C[C@H](C(=O)Nc1ccc(cc1)c2ccnc3c2cc[nH]3)N
SMILES	OpenEye OEToolkits	2.0.7	CC(C)CC(C(=O)Nc1ccc(cc1)c2ccnc3c2cc[nH]3)N

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