Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

L62 : Summary

Code

L62

One-letter code

X

Molecule name

cyclopentyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate

Systematic names

ProgramVersionName
ACDLabs 12.01 cyclopentyl [(1R)-3-oxo-1-phenylpropyl]carbamate
OpenEye OEToolkits 1.9.2 cyclopentyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate

Formula

C15 H19 N O3

Formal charge

0

Molecular weight

261.316 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(OC1CCCC1)NC(c2ccccc2)CC=O
SMILES CACTVS 3.385 O=CC[CH](NC(=O)OC1CCCC1)c2ccccc2
SMILES OpenEye OEToolkits 1.9.2 c1ccc(cc1)C(CC=O)NC(=O)OC2CCCC2
Canonical SMILES CACTVS 3.385 O=CC[C@@H](NC(=O)OC1CCCC1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.9.2 c1ccc(cc1)[C@@H](CC=O)NC(=O)OC2CCCC2

IUPAC InChI

InChI=1S/C15H19NO3/c17-11-10-14(12-6-2-1-3-7-12)16-15(18)19-13-8-4-5-9-13/h1-3,6-7,11,13-14H,4-5,8-10H2,(H,16,18)/t14-/m1/s1

IUPAC InChI key

JHRUSYOIALPZLD-CQSZACIVSA-N
L62

wwPDB Information

Atom count

38 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-02-11

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned