ChemComp-5VW: [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbam...

Basic information

• Entry: Database: PDB chemical components / ID: 5VW
• Name: Name: [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate; Synonyms: FPI-1465, bound form

Chemical information

Composition

Formula: C₁₁H₂₀N₄O₇S / Number of atoms: 43 / Formula weight: 352.364 / Formal charge: 0

Others

5fgz

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5VW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5FGZ

History

Create component	Dec 14, 2015
Other modification	Dec 23, 2015
Create component	Dec 30, 2015
Initial release	Jan 20, 2016
Modify synonyms	Jun 5, 2020

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• CACTVS 3.385: O[S](=O)(=O)ON[CH]1CC[CH](N(C1)C=O)C(=O)NO[CH]2CCNC2
• OpenEye OEToolkits 2.0.4: C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)NOC2CCNC2

SMILES CANONICAL

• CACTVS 3.385: O[S](=O)(=O)ON[C@@H]1CC[C@H](N(C1)C=O)C(=O)NO[C@H]2CCNC2
• OpenEye OEToolkits 2.0.4: C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NO[C@H]2CCNC2

InChI

• InChI 1.03: InChI=1S/C11H20N4O7S/c16-7-15-6-8(13-22-23(18,19)20)1-2-10(15)11(17)14-21-9-3-4-12-5-9/h7-10,12-13H,1-6H2,(H,14,17)(H,18,19,20)/t8-,9+,10+/m1/s1

InChIKey

• InChI 1.03: RTYOMSYVLRQWIH-UTLUCORTSA-N

PDB entries

Showing all 3 items

PDB-5fao:
CTX-M-15 in complex with FPI-1465

PDB-5faq:
OXA-48 in complex with FPI-1465

PDB-5fgz:
E. coli PBP1b in complex with FPI-1465