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BioLiP

PDB CCD ID: YXM
Number of entries in BioLiP: 0
Chemical formula: C32 H35 N2 O5 P
InChI: InChI=1S/C32H35N2O5P/c35-24-30(32(37)25-19-21-26(22-20-25)34(38)39)33-31(36)18-10-11-23-40(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-9,12-17,19-22,30,32,35,37,40H,10-11,18,23-24H2,(H,33,36)/t30-,32-/m1/s1
InChIKey: QTBIPHCDEMVXOU-XLJNKUFUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[CH](NC(=O)CCCC[PH](c1ccccc1)(c2ccccc2)c3ccccc3)[CH](O)c4ccc(cc4)[N+]([O-])=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)P(CCCCC(=O)N[C@H](CO)[C@@H](c2ccc(cc2)[N+](=O)[O-])O)(c3ccccc3)c4ccccc4
ACDLabs 12.01[O-][N+](=O)c1ccc(cc1)C(O)C(CO)NC(=O)CCCCP(c1ccccc1)(c1ccccc1)c1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)P(CCCCC(=O)NC(CO)C(c2ccc(cc2)[N+](=O)[O-])O)(c3ccccc3)c4ccccc4
CACTVS 3.385OC[C@@H](NC(=O)CCCC[PH](c1ccccc1)(c2ccccc2)c3ccccc3)[C@H](O)c4ccc(cc4)[N+]([O-])=O
Name:N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-(triphenyl-lambda~5~-phosphanyl)pentanamide
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)(download the PDF file).
  • 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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