N-(5-(N-(2-AMIDINOETHYL)CARBAMOYL)-1-METHYL-1H-PYRROL-3-YL)-4-(4-(3-(4-(2-CHLOROETHYLSULFANYL)PHENYL)-2(E)-PROPENAMIDO)-1-METHYL-1H-PYRROL-2-YLCARBOXAMIDO)-1-METHYL-1H-PYRROLE-2-CARBOXAMIDE HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H36ClN9O4S.ClH
Molecular Weight	714.665
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of N-(5-(N-(2-AMIDINOETHYL)CARBAMOYL)-1-METHYL-1H-PYRROL-3-YL)-4-(4-(3-(4-(2-CHLOROETHYLSULFANYL)PHENYL)-2(E)-PROPENAMIDO)-1-METHYL-1H-PYRROL-2-YLCARBOXAMIDO)-1-METHYL-1H-PYRROLE-2-CARBOXAMIDE HYDROCHLORIDE

Structure Search

SMILES

Cl.CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(NC(=O)\C=C\C4=CC=C(SCCCl)C=C4)=CN3C)=CN2C)C=C1C(=O)NCCC(N)=N

InChI

InChIKey=KTWWTYJXINGCOC-MLBSPLJJSA-N

InChI=1S/C32H36ClN9O4S.ClH/c1-40-18-22(15-25(40)30(44)36-12-10-28(34)35)38-32(46)27-16-23(19-42(27)3)39-31(45)26-14-21(17-41(26)2)37-29(43)9-6-20-4-7-24(8-5-20)47-13-11-33;/h4-9,14-19H,10-13H2,1-3H3,(H3,34,35)(H,36,44)(H,37,43)(H,38,46)(H,39,45);1H/b9-6+;

HIDE SMILES / InChI

Molecular Formula	C32H36ClN9O4S
Molecular Weight	678.204
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:53:31 GMT 2023` Edited by `admin` on `Sat Dec 16 09:53:31 GMT 2023`
Record UNII	4WVN3B6SYS
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

N-(5-(N-(2-AMIDINOETHYL)CARBAMOYL)-1-METHYL-1H-PYRROL-3-YL)-4-(4-(3-(4-(2-CHLOROETHYLSULFANYL)PHENYL)-2(E)-PROPENAMIDO)-1-METHYL-1H-PYRROL-2-YLCARBOXAMIDO)-1-METHYL-1H-PYRROLE-2-CARBOXAMIDE HYDROCHLORIDE

Systematic Name

English

PNU-193821

Code

English

1H-PYRROLE-2-CARBOXAMIDE, N-(5-(((3-AMINO-3-IMINOPROPYL)AMINO)CARBONYL)-1-METHYL-1H-PYRROL-3-YL)-4-(((4-((3-(4-((2-CHLOROETHYL)THIO)PHENYL)-1-OXO-2-PROPEN-1-YL)AMINO)-1-METHYL-1H-PYRROL-2-YL)CARBONYL)AMINO)-1-METHYL-, HYDROCHLORIDE (1:1)

Systematic Name

English

1H-PYRROLE-2-CARBOXAMIDE, N-(5-(((3-AMINO-3-IMINOPROPYL)AMINO)CARBONYL)-1-METHYL-1H-PYRROL-3-YL)-4-(((4-((3-(4-((2-CHLOROETHYL)THIO)PHENYL)-1-OXO-2-PROPENYL)AMINO)-1-METHYL-1H-PYRROL-2-YL)CARBONYL)AMINO)-1-METHYL-, MONOHYDROCHLORIDE

Systematic Name

English

PNU193821

Code

English

Code System Code Type Description

CAS

294660-87-0

Created by admin on Sat Dec 16 09:53:31 GMT 2023 , Edited by admin on Sat Dec 16 09:53:31 GMT 2023

PRIMARY

FDA UNII

4WVN3B6SYS

Created by admin on Sat Dec 16 09:53:31 GMT 2023 , Edited by admin on Sat Dec 16 09:53:31 GMT 2023

PRIMARY

PUBCHEM

9961824

Created by admin on Sat Dec 16 09:53:31 GMT 2023 , Edited by admin on Sat Dec 16 09:53:31 GMT 2023

PRIMARY

Related Record Type Details


					J8E5WYT49A

N-(5-(((3-AMINO-3-IMINOPROPYL)AMINO)CARBONYL)-1-METHYL-1H-PYRROL-3-YL)-4-(((4-((3-(4-((2-CHLOROETHYL)THIO)PHENYL)-1-OXO-2-PROPEN-1-YL)AMINO)-1-METHYL-1H-PYRROL-2-YL)CARBONYL)AMINO)-1-METHYL-1H-PYRROLE-2-CARBOXAMIDE

PARENT -> SALT/SOLVATE

Amount:

Related Record Type Details


					J8E5WYT49A

N-(5-(((3-AMINO-3-IMINOPROPYL)AMINO)CARBONYL)-1-METHYL-1H-PYRROL-3-YL)-4-(((4-((3-(4-((2-CHLOROETHYL)THIO)PHENYL)-1-OXO-2-PROPEN-1-YL)AMINO)-1-METHYL-1H-PYRROL-2-YL)CARBONYL)AMINO)-1-METHYL-1H-PYRROLE-2-CARBOXAMIDE

ACTIVE MOIETY