BioLiP

PDB

BioLiP

PDB CCD ID:

MV5

Number of entries in BioLiP:

Chemical formula:

C6 H13 N3 O2 S2

InChI:

InChI=1S/C6H13N3O2S2/c7-4(1-10)2-12-13-3-5(8)6(9)11/h1,4-5H,2-3,7-8H2,(H2,9,11)/t4-,5+/m1/s1

InChIKey:

YPDYDODADSFOTL-UHNVWZDZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H](CSSC[C@H](N)C(N)=O)C=O
OpenEye OEToolkits 2.0.7	C(C(C=O)N)SSCC(C(=O)N)N
OpenEye OEToolkits 2.0.7	C([C@@H](C=O)N)SSC[C@@H](C(=O)N)N
CACTVS 3.385	N[CH](CSSC[CH](N)C(N)=O)C=O

Name:

(2~{R})-2-azanyl-3-[[(2~{R})-2-azanyl-3-oxidanylidene-propyl]disulfanyl]propanamide

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).