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Summary Geometry Related PDB entries

LNT

Summary

Name:	N-[(2S)-2-amino-1,1-dihydroxy-4-methylpentyl]-L-threonine
Formula:	C10 H22 N2 O5
Formal charge:	0
Formula weight:	250.292 Da
Component type:	PEPTIDE-LIKE

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(2S)-2-amino-1,1-dihydroxy-4-methylpentyl]-L-threonine
OpenEye OEToolkits	1.7.0	(2S,3R)-2-[[(2S)-2-azanyl-1,1-dihydroxy-4-methyl-pentyl]amino]-3-hydroxy-butanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(NC(O)(O)C(N)CC(C)C)C(O)C
SMILES_CANONICAL	CACTVS	3.370	CC(C)C[C@H](N)C(O)(O)N[C@@H]([C@@H](C)O)C(O)=O
SMILES	CACTVS	3.370	CC(C)C[CH](N)C(O)(O)N[CH]([CH](C)O)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	C[C@H]([C@@H](C(=O)O)NC([C@H](CC(C)C)N)(O)O)O
SMILES	OpenEye OEToolkits	1.7.0	CC(C)CC(C(NC(C(C)O)C(=O)O)(O)O)N
InChI	InChI	1.03	InChI=1S/C10H22N2O5/c1-5(2)4-7(11)10(16,17)12-8(6(3)13)9(14)15/h5-8,12-13,16-17H,4,11H2,1-3H3,(H,14,15)/t6-,7+,8+/m1/s1
InChIKey	InChI	1.03	JUVAHRIWFDXYGV-CSMHCCOUSA-N

221716

PDB entries from 2024-06-26

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