BioLiP

PDB

BioLiP

PDB CCD ID:

FWO

Number of entries in BioLiP:

Chemical formula:

C10 H18 N2 O5

InChI:

InChI=1S/C10H18N2O5/c1-5(2)3-7(10(16)17)12-8(13)4-6(11)9(14)15/h5-7H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1

InChIKey:

IYJILWQAFPUBHP-BQBZGAKWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)CC(C(=O)O)NC(=O)CC(C(=O)O)N
OpenEye OEToolkits 2.0.7	CC(C)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N
CACTVS 3.385	CC(C)C[CH](NC(=O)C[CH](N)C(O)=O)C(O)=O
CACTVS 3.385	CC(C)C[C@H](NC(=O)C[C@H](N)C(O)=O)C(O)=O

Name:

(2S)-2-[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid

ZINC:

ZINC000002522597

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).