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NHL : Summary

Code

NHL

One-letter code

E

Molecule name

(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (4S)-4-(naphthalen-2-ylmethyl)-D-glutamic acid
OpenEye OEToolkits 1.5.0 (2R,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid

Formula

C16 H17 N O4

Formal charge

0

Molecular weight

287.31 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CC(C(=O)O)Cc2ccc1c(cccc1)c2
SMILES CACTVS 3.341 N[CH](C[CH](Cc1ccc2ccccc2c1)C(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1ccc2cc(ccc2c1)CC(CC(C(=O)O)N)C(=O)O
Canonical SMILES CACTVS 3.341 N[C@H](C[C@H](Cc1ccc2ccccc2c1)C(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2cc(ccc2c1)C[C@@H](C[C@H](C(=O)O)N)C(=O)O

IUPAC InChI

InChI=1S/C16H17NO4/c17-14(16(20)21)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9,17H2,(H,18,19)(H,20,21)/t13-,14+/m0/s1

IUPAC InChI key

YDWIUFASTTZKNI-UONOGXRCSA-N
NHL

wwPDB Information

Atom count

38 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

GLU

Defined at

2007-01-18

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned