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BioLiP

PDB CCD ID: FVF
Number of entries in BioLiP: 1
Chemical formula: C30 H35 N2 O8 P
InChI: InChI=1S/C30H35N2O8P/c1-21(2)28(41(37,38)40-26(29(34)35)19-23-14-8-4-9-15-23)32-27(33)25(18-22-12-6-3-7-13-22)31-30(36)39-20-24-16-10-5-11-17-24/h3-17,21,25-26,28H,18-20H2,1-2H3,(H,31,36)(H,32,33)(H,34,35)(H,37,38)/t25-,26-,28+/m0/s1
InChIKey: NXIYKBRAJXXOLO-UNCTUWKVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@@](=O)(O)O[C@@H](Cc3ccccc3)C(=O)O
OpenEye OEToolkits 1.5.0CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)OCc2ccccc2)P(=O)(O)OC(Cc3ccccc3)C(=O)O
CACTVS 3.341CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@](O)(=O)O[C@@H](Cc3ccccc3)C(O)=O
CACTVS 3.341CC(C)[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)[P](O)(=O)O[CH](Cc3ccccc3)C(O)=O
ACDLabs 10.04O=C(O)C(OP(=O)(O)C(NC(=O)C(NC(=O)OCc1ccccc1)Cc2ccccc2)C(C)C)Cc3ccccc3
Name:O-((((N-PHENYL-METHOXY-CARBONYL)-PHENYL ALANYL-CARBONYL)AMINO)-ISOBUTYL)HYDROXY PHOSPHINYL)-3-PHENYLACETIC ACID
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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