Chemical Components in the PDB

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L6C : Summary

Code

L6C

One-letter code

X

Molecule name

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

Systematic names

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

Formula

C16 H15 N O3

Formal charge

0

Molecular weight

269.295 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Oc1ccccc1)NC(c2ccccc2)CC=O
SMILES CACTVS 3.385 O=CC[CH](NC(=O)Oc1ccccc1)c2ccccc2
SMILES OpenEye OEToolkits 1.9.2 c1ccc(cc1)C(CC=O)NC(=O)Oc2ccccc2
Canonical SMILES CACTVS 3.385 O=CC[C@@H](NC(=O)Oc1ccccc1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.9.2 c1ccc(cc1)[C@@H](CC=O)NC(=O)Oc2ccccc2

IUPAC InChI

InChI=1S/C16H15NO3/c18-12-11-15(13-7-3-1-4-8-13)17-16(19)20-14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H,17,19)/t15-/m1/s1

IUPAC InChI key

HHWCOMIRIZKFCW-OAHLLOKOSA-N
L6C

wwPDB Information

Atom count

35 (20 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