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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H31N5O3S.C4H4O4
Molecular Weight 609.693
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of LB-30057

SMILES

OC(=O)\C=C/C(O)=O.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=AERYWTWBOYIUJS-GCCVQAHUSA-N
InChI=1S/C26H31N5O3S.C4H4O4/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;5-3(6)1-2-4(7)8/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29);1-2H,(H,5,6)(H,7,8)/b;2-1-/t24-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 09:17:44 UTC 2019
Edited
by admin
on Tue Oct 22 09:17:44 UTC 2019
Record UNII
I51I983CDF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LB-30057
Code English
BENZENECARBOXIMIDIC ACID, 4-((2S)-3-(CYCLOPENTYLMETHYLAMINO)-2-((2-NAPHTHALENYLSULFONYL)AMINO)-3-OXOPROPYL)-, HYDRAZIDE, (2Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
PD-172524
Code English
CI-1028
Code English
Code System Code Type Description
PUBCHEM
133082220
Created by admin on Tue Oct 22 09:17:44 UTC 2019 , Edited by admin on Tue Oct 22 09:17:44 UTC 2019
PRIMARY
CAS
911683-33-5
Created by admin on Tue Oct 22 09:17:44 UTC 2019 , Edited by admin on Tue Oct 22 09:17:44 UTC 2019
PRIMARY
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