N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carboxamide;dihydrochloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H32N12O4.2ClH
Molecular Weight	625.511
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carboxamide;dihydrochloride

Structure Search

SMILES

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

InChI

InChIKey=WMUFVOWESCBEEC-UHFFFAOYSA-N

InChI=1S/C24H32N12O4.2ClH/c1-34-11-14(7-16(34)21(38)29-5-4-19(25)26)32-23(40)18-8-15(12-36(18)3)33-22(39)17-6-13(10-35(17)2)31-20(37)9-30-24(27)28;;/h6-8,10-12H,4-5,9H2,1-3H3,(H3,25,26)(H,29,38)(H,31,37)(H,32,40)(H,33,39)(H4,27,28,30);2*1H

HIDE SMILES / InChI

Molecular Formula	C24H32N12O4
Molecular Weight	552.5889
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
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 12:43:00 GMT 2023` Edited by `admin` on `Sat Dec 16 12:43:00 GMT 2023`
Record UNII	3Q9A4ZK57B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carboxamide;dihydrochloride

Systematic Name

English

1H-Pyrrole-2-carboxamide, 4-[[[4-[[[(aminoiminomethyl)amino]acetyl]amino]-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-, dihydrochloride

Systematic Name

English

1H-Pyrrole-2-carboxamide, 4-[[[4-[[2-[(aminoiminomethyl)amino]acetyl]amino]-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-, hydrochloride (1:2)

Systematic Name

English

NSC-275886

Code

English

Code System Code Type Description

FDA UNII

3Q9A4ZK57B