Chemical Components in the PDB

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GVR : Summary

Code

GVR

One-letter code

X

Molecule name

(2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide (non-preferred name)
OpenEye OEToolkits 1.5.0 (2R)-N-hydroxy-3-naphthalen-2-yl-2-(naphthalen-2-ylsulfonylamino)propanamide

Formula

C23 H20 N2 O4 S

Formal charge

0

Molecular weight

420.481 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S(=O)(c2cc1ccccc1cc2)NC(C(=O)NO)Cc4ccc3c(cccc3)c4
SMILES CACTVS 3.341 ONC(=O)[CH](Cc1ccc2ccccc2c1)N[S](=O)(=O)c3ccc4ccccc4c3
SMILES OpenEye OEToolkits 1.5.0 c1ccc2cc(ccc2c1)CC(C(=O)NO)NS(=O)(=O)c3ccc4ccccc4c3
Canonical SMILES CACTVS 3.341 ONC(=O)[C@@H](Cc1ccc2ccccc2c1)N[S](=O)(=O)c3ccc4ccccc4c3
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2cc(ccc2c1)C[C@H](C(=O)NO)NS(=O)(=O)c3ccc4ccccc4c3

IUPAC InChI

InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1

IUPAC InChI key

MMOUXLMPQFMDRD-JOCHJYFZSA-N
GVR

wwPDB Information

Atom count

50 (30 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

Is modified

No

Standard parent

Not Assigned

Defined at

2007-10-26

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned