Chemical Components in the PDB

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COR : Summary

Code

COR

One-letter code

X

Molecule name

2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE

Systematic names

ProgramVersionName
ACDLabs 10.04 2,4-diamino-1,2,4,5-tetradeoxy-1,5-diphenyl-L-arabinitol
OpenEye OEToolkits 1.5.0 (2S,4S)-2,4-diamino-1,5-diphenyl-pentan-3-ol

Formula

C17 H22 N2 O

Formal charge

0

Molecular weight

270.369 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC(C(N)Cc1ccccc1)C(N)Cc2ccccc2
SMILES CACTVS 3.341 N[CH](Cc1ccccc1)[CH](O)[CH](N)Cc2ccccc2
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CC(C(C(Cc2ccccc2)N)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](N)Cc2ccccc2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)C[C@@H](C([C@H](Cc2ccccc2)N)O)N

IUPAC InChI

InChI=1S/C17H22N2O/c18-15(11-13-7-3-1-4-8-13)17(20)16(19)12-14-9-5-2-6-10-14/h1-10,15-17,20H,11-12,18-19H2/t15-,16-/m0/s1

IUPAC InChI key

GZBLEJZADHZBBZ-HOTGVXAUSA-N
COR

wwPDB Information

Atom count

42 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned