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Summary Geometry Related PDB entries

2SB

Summary

Name:	(2S)-2-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide
Formula:	C15 H14 Br N3 O2
Formal charge:	0
Formula weight:	348.195 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2S)-2-amino-N'-[(E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide
OpenEye OEToolkits	1.7.0	(2S)-2-azanyl-N-[(E)-(3-bromo-4-hydroxy-phenyl)methylideneamino]-2-phenyl-ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc2cc(/C=N/NC(=O)C(c1ccccc1)N)ccc2O
SMILES_CANONICAL	CACTVS	3.370	N[C@H](C(=O)N\N=C\c1ccc(O)c(Br)c1)c2ccccc2
SMILES	CACTVS	3.370	N[CH](C(=O)NN=Cc1ccc(O)c(Br)c1)c2ccccc2
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	c1ccc(cc1)[C@@H](C(=O)N/N=C/c2ccc(c(c2)Br)O)N
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)C(C(=O)NN=Cc2ccc(c(c2)Br)O)N
InChI	InChI	1.03	InChI=1S/C15H14BrN3O2/c16-12-8-10(6-7-13(12)20)9-18-19-15(21)14(17)11-4-2-1-3-5-11/h1-9,14,20H,17H2,(H,19,21)/b18-9+/t14-/m0/s1
InChIKey	InChI	1.03	LFYFEEHPORTFLQ-RMNBPEERSA-N

222415

PDB entries from 2024-07-10

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