Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

NPH : Summary

Code

NPH

One-letter code

C

Molecule name

CYSTEINE-METHYLENE-CARBAMOYL-1,10-PHENANTHROLINE

Systematic names

ProgramVersionName
ACDLabs 10.04 S-[2-oxo-2-(1,10-phenanthrolin-5-ylamino)ethyl]-L-cysteine
OpenEye OEToolkits 1.5.0 (2R)-2-amino-3-[2-oxo-2-(1,10-phenanthrolin-5-ylamino)ethyl]sulfanyl-propanoic acid

Formula

C17 H16 N4 O3 S

Formal charge

0

Molecular weight

356.399 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CSCC(=O)Nc2cc1cccnc1c3ncccc23
SMILES CACTVS 3.341 N[CH](CSCC(=O)Nc1cc2cccnc2c3ncccc13)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc2cc(c3cccnc3c2nc1)NC(=O)CSCC(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](CSCC(=O)Nc1cc2cccnc2c3ncccc13)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2cc(c3cccnc3c2nc1)NC(=O)CSC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C17H16N4O3S/c18-12(17(23)24)8-25-9-14(22)21-13-7-10-3-1-5-19-15(10)16-11(13)4-2-6-20-16/h1-7,12H,8-9,18H2,(H,21,22)(H,23,24)/t12-/m0/s1

IUPAC InChI key

ZFGIPRHDRFOMFO-LBPRGKRZSA-N
NPH

wwPDB Information

Atom count

41 (25 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

CYS

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned