Chemical Components in the PDB

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GA0 : Summary

Code

GA0

One-letter code

X

Molecule name

GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE

Synonyms

GLYCYL-ALANYL-PROLINE-BETA-NAPHTHYLAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 glycyl-L-alanyl-N-naphthalen-2-yl-L-prolinamide
OpenEye OEToolkits 1.5.0 (2S)-1-[(2S)-2-(2-aminoethanoylamino)propanoyl]-N-naphthalen-2-yl-pyrrolidine-2-carboxamide

Formula

C20 H24 N4 O3

Formal charge

0

Molecular weight

368.43 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(Nc2cc1ccccc1cc2)C3N(C(=O)C(NC(=O)CN)C)CCC3
SMILES CACTVS 3.341 C[CH](NC(=O)CN)C(=O)N1CCC[CH]1C(=O)Nc2ccc3ccccc3c2
SMILES OpenEye OEToolkits 1.5.0 CC(C(=O)N1CCCC1C(=O)Nc2ccc3ccccc3c2)NC(=O)CN
Canonical SMILES CACTVS 3.341 C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)Nc2ccc3ccccc3c2
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc2ccc3ccccc3c2)NC(=O)CN

IUPAC InChI

InChI=1S/C20H24N4O3/c1-13(22-18(25)12-21)20(27)24-10-4-7-17(24)19(26)23-16-9-8-14-5-2-3-6-15(14)11-16/h2-3,5-6,8-9,11,13,17H,4,7,10,12,21H2,1H3,(H,22,25)(H,23,26)/t13-,17-/m0/s1

IUPAC InChI key

KCELZXZDIUJGNM-GUYCJALGSA-N
GA0

wwPDB Information

Atom count

51 (27 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-01-16

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned