Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

ZTO : Summary

Code

ZTO

One-letter code

X

Molecule name

N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide
OpenEye OEToolkits 2.0.7 ~{N}-[3-[[(3~{R})-5-fluoranyl-2-oxidanylidene-1,3-dihydroindol-3-yl]methyl]phenyl]-4-methoxy-benzamide

Formula

C23 H19 F N2 O3

Formal charge

0

Molecular weight

390.407 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 COc1ccc(cc1)C(=O)Nc1cccc(c1)CC1c2cc(F)ccc2NC1=O
SMILES CACTVS 3.385 COc1ccc(cc1)C(=O)Nc2cccc(C[CH]3C(=O)Nc4ccc(F)cc34)c2
SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)C(=O)Nc2cccc(c2)CC3c4cc(ccc4NC3=O)F
Canonical SMILES CACTVS 3.385 COc1ccc(cc1)C(=O)Nc2cccc(C[C@H]3C(=O)Nc4ccc(F)cc34)c2
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)C(=O)Nc2cccc(c2)C[C@@H]3c4cc(ccc4NC3=O)F

IUPAC InChI

InChI=1S/C23H19FN2O3/c1-29-18-8-5-15(6-9-18)22(27)25-17-4-2-3-14(11-17)12-20-19-13-16(24)7-10-21(19)26-23(20)28/h2-11,13,20H,12H2,1H3,(H,25,27)(H,26,28)/t20-/m1/s1

IUPAC InChI key

PMXAOPMAOYNZJP-HXUWFJFHSA-N
ZTO

wwPDB Information

Atom count

48 (29 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-03-31

Last modified at

2024-03-22

Status

Released

Obsoleted

Not Assigned