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BioLiP

PDB CCD ID: NYB
Number of entries in BioLiP: 0
Chemical formula: C8 H17 N O2 S
InChI: InChI=1S/C8H17NO2S/c1-4-6(2)12-5-7(9-3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t6-,7+/m1/s1
InChIKey: UXCFOODULRZHMV-RQJHMYQMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CC[C@@H](C)SC[C@H](NC)C(O)=O
OpenEye OEToolkits 1.6.1CCC(C)SCC(C(=O)O)NC
CACTVS 3.352CC[CH](C)SC[CH](NC)C(O)=O
ACDLabs 10.04O=C(O)C(NC)CSC(CC)C
OpenEye OEToolkits 1.6.1CC[C@@H](C)SC[C@@H](C(=O)O)NC
Name:N-METHYL-S-[(1R)-1-METHYLPROPYL]-L-CYSTEINE
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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