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Summary Geometry Related PDB entries

O5E

Summary

Name:	(2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide
Formula:	C15 H14 N6 O
Formal charge:	0
Formula weight:	294.311 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide
OpenEye OEToolkits	2.0.6	(2~{R})-2-phenyl-2-phenylazanyl-~{N}-(1~{H}-1,2,3,4-tetrazol-5-yl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C(c1ccccc1)Nc2ccccc2)(=O)Nc3nnnn3
InChI	InChI	1.03	InChI=1S/C15H14N6O/c22-14(17-15-18-20-21-19-15)13(11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10,13,16H,(H2,17,18,19,20,21,22)/t13-/m1/s1
InChIKey	InChI	1.03	PLRZYAQVTMJESZ-CYBMUJFWSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C(Nc1[nH]nnn1)[C@H](Nc2ccccc2)c3ccccc3
SMILES	CACTVS	3.385	O=C(Nc1[nH]nnn1)[CH](Nc2ccccc2)c3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1ccc(cc1)[C@H](C(=O)Nc2[nH]nnn2)Nc3ccccc3
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)C(C(=O)Nc2[nH]nnn2)Nc3ccccc3

223532

PDB entries from 2024-08-07

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