English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

2JF

Summary

Name:	(2S)-2-amino-3-oxopropyl 4-{[(2S)-2-hydroxy-4-methylpentanoyl]amino}butanoate
Formula:	C13 H24 N2 O5
Formal charge:	0
Formula weight:	288.34 Da
Component type:	L-PEPTIDE LINKING

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2S)-2-amino-3-oxopropyl 4-{[(2S)-2-hydroxy-4-methylpentanoyl]amino}butanoate
OpenEye OEToolkits	1.7.6	[(2S)-2-azanyl-3-oxidanylidene-propyl] 4-[[(2S)-4-methyl-2-oxidanyl-pentanoyl]amino]butanoate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=CC(N)COC(=O)CCCNC(=O)C(O)CC(C)C
InChI	InChI	1.03	InChI=1S/C13H24N2O5/c1-9(2)6-11(17)13(19)15-5-3-4-12(18)20-8-10(14)7-16/h7,9-11,17H,3-6,8,14H2,1-2H3,(H,15,19)/t10-,11+/m1/s1
InChIKey	InChI	1.03	GRIOOHXHRRRAIS-MNOVXSKESA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)C[C@H](O)C(=O)NCCCC(=O)OC[C@H](N)C=O
SMILES	CACTVS	3.385	CC(C)C[CH](O)C(=O)NCCCC(=O)OC[CH](N)C=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CC(C)C[C@@H](C(=O)NCCCC(=O)OC[C@@H](C=O)N)O
SMILES	OpenEye OEToolkits	1.7.6	CC(C)CC(C(=O)NCCCC(=O)OCC(C=O)N)O

223532

PDB entries from 2024-08-07

PDB statistics

PDBj update info

Contact PDBj

numon