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X0I : Summary

Code

X0I

One-letter code

X

Molecule name

(2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
OpenEye OEToolkits 2.0.7 (2~{R})-2-(cyclopentylcarbamoylamino)-~{N}-oxidanyl-2-[4-[3,4,5-tris(fluoranyl)phenyl]phenyl]ethanamide

Formula

C20 H20 F3 N3 O3

Formal charge

0

Molecular weight

407.386 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(NC(c1ccc(cc1)c1cc(F)c(F)c(F)c1)C(=O)NO)NC1CCCC1
SMILES CACTVS 3.385 ONC(=O)[CH](NC(=O)NC1CCCC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)NC3CCCC3
Canonical SMILES CACTVS 3.385 ONC(=O)[C@H](NC(=O)NC1CCCC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)NC3CCCC3

IUPAC InChI

InChI=1S/C20H20F3N3O3/c21-15-9-13(10-16(22)17(15)23)11-5-7-12(8-6-11)18(19(27)26-29)25-20(28)24-14-3-1-2-4-14/h5-10,14,18,29H,1-4H2,(H,26,27)(H2,24,25,28)/t18-/m1/s1

IUPAC InChI key

XINQPEYJNGXEFY-GOSISDBHSA-N
X0I

wwPDB Information

Atom count

49 (29 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-10-25

Last modified at

2023-01-13

Status

Released

Obsoleted

Not Assigned