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Summary Geometry Related PDB entries

F7P

Summary

Name:	1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan
Formula:	C16 H22 N2 O3
Formal charge:	0
Formula weight:	290.357 Da
Component type:	L-peptide linking

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan
OpenEye OEToolkits	2.0.6	(2~{S})-2-azanyl-3-[1-[(3~{R})-2-methyl-3-oxidanyl-butan-2-yl]indol-3-yl]propanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C(N)C(O)=O)c2c1ccccc1n(c2)C(C(C)O)(C)C
InChI	InChI	1.03	InChI=1S/C16H22N2O3/c1-10(19)16(2,3)18-9-11(8-13(17)15(20)21)12-6-4-5-7-14(12)18/h4-7,9-10,13,19H,8,17H2,1-3H3,(H,20,21)/t10-,13+/m1/s1
InChIKey	InChI	1.03	AMVINRFZGUCXTO-MFKMUULPSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H](O)C(C)(C)n1cc(C[C@H](N)C(O)=O)c2ccccc12
SMILES	CACTVS	3.385	C[CH](O)C(C)(C)n1cc(C[CH](N)C(O)=O)c2ccccc12
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	C[C@H](C(C)(C)n1cc(c2c1cccc2)C[C@@H](C(=O)O)N)O
SMILES	OpenEye OEToolkits	2.0.6	CC(C(C)(C)n1cc(c2c1cccc2)CC(C(=O)O)N)O

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