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Summary Geometry Related PDB entries

ZT6

Summary

Name:	(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-L-tyrosine
Formula:	C18 H30 Cl N O4 Si
Formal charge:	0
Formula weight:	387.974 Da
Component type:	L-peptide linking

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-L-tyrosine
OpenEye OEToolkits	2.0.7	(2~{S},3~{R})-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-tri(propan-2-yl)silyloxy-propanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C)C)C(N)C(=O)O
InChI	InChI	1.06	InChI=1S/C18H30ClNO4Si/c1-10(2)25(11(3)4,12(5)6)24-17(16(20)18(22)23)13-7-8-15(21)14(19)9-13/h7-12,16-17,21H,20H2,1-6H3,(H,22,23)/t16-,17+/m0/s1
InChIKey	InChI	1.06	FNRYKHQDTZHUJG-DLBZAZTESA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)[Si](O[C@@H]([C@H](N)C(O)=O)c1ccc(O)c(Cl)c1)(C(C)C)C(C)C
SMILES	CACTVS	3.385	CC(C)[Si](O[CH]([CH](N)C(O)=O)c1ccc(O)c(Cl)c1)(C(C)C)C(C)C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)[Si](C(C)C)(C(C)C)O[C@H](c1ccc(c(c1)Cl)O)[C@@H](C(=O)O)N
SMILES	OpenEye OEToolkits	2.0.7	CC(C)[Si](C(C)C)(C(C)C)OC(c1ccc(c(c1)Cl)O)C(C(=O)O)N

221716

PDB entries from 2024-06-26

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