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BioLiP

PDB CCD ID: G74
Number of entries in BioLiP: 2
Chemical formula: C16 H28 N2 O5
InChI: InChI=1S/C16H28N2O5/c1-5-22-13(19)7-6-12(10-11-8-9-17-14(11)20)18-15(21)23-16(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,20)(H,18,21)/t11-,12+/m0/s1
InChIKey: VOUMGEIBLJTQJX-NWDGAFQWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCOC(=O)CCC(CC1CCNC1=O)NC(=O)OC(C)(C)C
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)OC(C)(C)C
CACTVS 3.385CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)OC(C)(C)C
ACDLabs 12.01O=C(OCC)CCC(NC(=O)OC(C)(C)C)CC1C(=O)NCC1
Name:ETHYL (4R)-4-[(TERT-BUTOXYCARBONYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
ZINC: ZINC000095921254
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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