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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H31N5O3S
Molecular Weight 493.621
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LB-30057 FREE BASE

SMILES

CN(C1CCCC1)C(=O)[C@H](CC2=CC=C(C=C2)C(=N)NN)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChIKey=ZPDICRPCOSQEDS-DEOSSOPVSA-N
InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H31N5O3S
Molecular Weight 493.621
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:16:47 UTC 2023
Edited
by admin
on Sat Dec 16 14:16:47 UTC 2023
Record UNII
IF979JQU3S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LB-30057 FREE BASE
Code English
PD-172524 FREE BASE
Code English
CI-1028 FREE BASE
Code English
BENZENECARBOXIMIDIC ACID, 4-((2S)-3-(CYCLOPENTYLMETHYLAMINO)-2-((2-NAPHTHALENYLSULFONYL)AMINO)-3-OXOPROPYL)-, HYDRAZIDE
Systematic Name English
Code System Code Type Description
FDA UNII
IF979JQU3S
Created by admin on Sat Dec 16 14:16:47 UTC 2023 , Edited by admin on Sat Dec 16 14:16:47 UTC 2023
PRIMARY
CAS
184770-78-3
Created by admin on Sat Dec 16 14:16:47 UTC 2023 , Edited by admin on Sat Dec 16 14:16:47 UTC 2023
PRIMARY
PUBCHEM
9913629
Created by admin on Sat Dec 16 14:16:47 UTC 2023 , Edited by admin on Sat Dec 16 14:16:47 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY