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Summary Geometry Related PDB entries

2TY

Summary

Name:	2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-L-TYROSINE
Formula:	C17 H18 N2 O4
Formal charge:	0
Formula weight:	314.336 Da
Component type:	L-PEPTIDE LINKING

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	2-hydroxy-5-{[(1E)-2-phenylethylidene]amino}-L-tyrosine
OpenEye OEToolkits	1.5.0	(2S)-2-amino-3-[2,4-dihydroxy-5-(phenethylideneamino)phenyl]propanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)Cc2cc(\N=C\Cc1ccccc1)c(O)cc2O
SMILES_CANONICAL	CACTVS	3.341	N[C@@H](Cc1cc(N=CCc2ccccc2)c(O)cc1O)C(O)=O
SMILES	CACTVS	3.341	N[CH](Cc1cc(N=CCc2ccccc2)c(O)cc1O)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C\C=N\c2cc(c(cc2O)O)C[C@@H](C(=O)O)N
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CC=Nc2cc(c(cc2O)O)CC(C(=O)O)N
InChI	InChI	1.03	InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,7,9-10,13,20-21H,6,8,18H2,(H,22,23)/b19-7+/t13-/m0/s1
InChIKey	InChI	1.03	BSKROLLIUIDPDT-KUJOXMSCSA-N

225946

PDB entries from 2024-10-09

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