LB-30057

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 Search

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	No
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	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:52:52 UTC 2023` Edited by `admin` on `Fri Dec 15 15:52:52 UTC 2023`
Record UNII	I51I983CDF
Record Status	`Validated (UNII)`
Record Version

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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

FDA UNII

I51I983CDF

Created by admin on Fri Dec 15 15:52:52 UTC 2023 , Edited by admin on Fri Dec 15 15:52:52 UTC 2023

PRIMARY

PUBCHEM

133082220

Created by admin on Fri Dec 15 15:52:52 UTC 2023 , Edited by admin on Fri Dec 15 15:52:52 UTC 2023

PRIMARY

CAS

911683-33-5

Created by admin on Fri Dec 15 15:52:52 UTC 2023 , Edited by admin on Fri Dec 15 15:52:52 UTC 2023

PRIMARY

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