GLN-LYS-ARG-ALA-ALA-TYR-ASP-GLN-TYR-GLY-HIS-ALA-ALA-PHE-GLU

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C78H111N23O24
Molecular Weight	1754.8587
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GLN-LYS-ARG-ALA-ALA-TYR-ASP-GLN-TYR-GLY-HIS-ALA-ALA-PHE-GLU

Structure Search

SMILES

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)NCC(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChIKey=CPLZPRMSVOUCIQ-FHSOKALMSA-N

InChI=1S/C78H111N23O24/c1-39(91-70(117)51(14-10-30-86-78(83)84)95-71(118)50(13-8-9-29-79)94-68(115)49(80)23-26-59(81)104)64(111)89-42(4)67(114)99-56(33-45-17-21-48(103)22-18-45)75(122)101-58(35-63(109)110)76(123)96-52(24-27-60(82)105)72(119)100-54(32-44-15-19-47(102)20-16-44)69(116)87-37-61(106)93-57(34-46-36-85-38-88-46)73(120)92-40(2)65(112)90-41(3)66(113)98-55(31-43-11-6-5-7-12-43)74(121)97-53(77(124)125)25-28-62(107)108/h5-7,11-12,15-22,36,38-42,49-58,102-103H,8-10,13-14,23-35,37,79-80H2,1-4H3,(H2,81,104)(H2,82,105)(H,85,88)(H,87,116)(H,89,111)(H,90,112)(H,91,117)(H,92,120)(H,93,106)(H,94,115)(H,95,118)(H,96,123)(H,97,121)(H,98,113)(H,99,114)(H,100,119)(H,101,122)(H,107,108)(H,109,110)(H,124,125)(H4,83,84,86)/t39-,40-,41-,42-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1

HIDE SMILES / InChI

Description
Sources: http://www.google.com/patents/US20130225592

Aldose reductase-IN-1 is an inhibitor of aldose reductase

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Aldose reductase 45 Target ID: CHEMBL1900 Sources: http://www.google.com/patents/US20130225592	Inhibitor 8504		28.9 pM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2596

PubMed

Title	Date	PubMed
CJ-023,423, a novel, potent and selective prostaglandin EP4 receptor antagonist with antihyperalgesic properties.	2007-08	17495127

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Name

Type

Language

GLN-LYS-ARG-ALA-ALA-TYR-ASP-GLN-TYR-GLY-HIS-ALA-ALA-PHE-GLU

Systematic Name

English

(2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-((2-(((2S)-2-(((2S)-5-AMINO-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-6-AMINO-2-(((2S)-2,5-DIAMINO-5-OXO-PENTANOYL)AMINO)HEXANOYL)AMINO)-5-GUANIDINO-PENTANOYL)AMINO)PROPANOYL)AMINO)PROPANOYL)AMINO)-3

Preferred Name

English

AT-001(DNAJP1)

Code

English

DNAJP1

Common Name

English

L-GLUTAMIC ACID, L-GLUTAMINYL-L-LYSYL-L-ARGINYL-L-ALANYL-L-ALANYL-L-TYROSYL-L-.ALPHA.-ASPARTYL-L-GLUTAMINYL-L-TYROSYLGLYCYL-L-HISTIDYL-L-ALANYL-L-ALANYL-L-PHENYLALANYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

I99M8K8AXT