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BioLiP

PDB CCD ID: BAF
Number of entries in BioLiP: 1
Chemical formula: C11 H21 N3 O4
InChI: InChI=1S/C11H21N3O4/c1-7(9(16)14-8(2)12-6-15)13-10(17)18-11(3,4)5/h6-8H,1-5H3,(H,12,15)(H,13,17)(H,14,16)/t7-,8-/m0/s1
InChIKey: MNUWNIQGBRBQRE-YUMQZZPRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)NC(C)NC=O)NC(=O)OC(C)(C)C
CACTVS 3.341C[C@@H](NC=O)NC(=O)[C@H](C)NC(=O)OC(C)(C)C
ACDLabs 10.04O=C(OC(C)(C)C)NC(C(=O)NC(NC=O)C)C
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)N[C@@H](C)NC=O)NC(=O)OC(C)(C)C
CACTVS 3.341C[CH](NC=O)NC(=O)[CH](C)NC(=O)OC(C)(C)C
Name:(TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE
DrugBank: DB07433
ZINC: ZINC000003870446
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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