DIPHTHAMIDE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H23N5O3
Molecular Weight	297.3534
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIPHTHAMIDE

Structure Search

SMILES

C[N+](C)(C)[C@@H](CCC1=NC=C(C[C@H](N)C([O-])=O)N1)C(N)=O

InChI

InChIKey=FOOBQHKMWYGHCE-UWVGGRQHSA-N

InChI=1S/C13H23N5O3/c1-18(2,3)10(12(15)19)4-5-11-16-7-8(17-11)6-9(14)13(20)21/h7,9-10H,4-6,14H2,1-3H3,(H3-,15,16,17,19,20,21)/t9-,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C13H23N5O3
Molecular Weight	297.3534
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:38:04 GMT 2025` Edited by `admin` on `Tue Apr 01 16:38:04 GMT 2025`
Record UNII	86L3ZZ4408
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIPHTHAMIDE

Common Name

English

2'-(3-CARBOXAMIDO-3-(TRIMETHYLAMMONIO)PROPYL)-L-HISTIDINE

Preferred Name

English

1H-IMIDAZOLE-2-PROPANAMINIUM, .ALPHA.-(AMINOCARBONYL)-5-((2S)-2-AMINO-2-CARBOXYETHYL)-N,N,N-TRIMETHYL-, (.ALPHA.S)-

Systematic Name

English

1H-IMIDAZOLE-2-PROPANAMINIUM, .ALPHA.-(AMINOCARBONYL)-5-(2-AMINO-2-CARBOXYETHYL)-N,N,N-TRIMETHYL-, INNER SALT

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60904010

Created by admin on Tue Apr 01 16:38:04 GMT 2025 , Edited by admin on Tue Apr 01 16:38:04 GMT 2025

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FDA UNII

86L3ZZ4408

Created by admin on Tue Apr 01 16:38:04 GMT 2025 , Edited by admin on Tue Apr 01 16:38:04 GMT 2025

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CAS

75645-22-6

Created by admin on Tue Apr 01 16:38:04 GMT 2025 , Edited by admin on Tue Apr 01 16:38:04 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

CHEBI

16692

Created by admin on Tue Apr 01 16:38:04 GMT 2025 , Edited by admin on Tue Apr 01 16:38:04 GMT 2025

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CAS

1605275-03-3

Created by admin on Tue Apr 01 16:38:04 GMT 2025 , Edited by admin on Tue Apr 01 16:38:04 GMT 2025

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PUBCHEM

70789228

Created by admin on Tue Apr 01 16:38:04 GMT 2025 , Edited by admin on Tue Apr 01 16:38:04 GMT 2025

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WIKIPEDIA

DIPHTHAMIDE

Created by admin on Tue Apr 01 16:38:04 GMT 2025 , Edited by admin on Tue Apr 01 16:38:04 GMT 2025

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DRUG BANK

DB03223

Created by admin on Tue Apr 01 16:38:04 GMT 2025 , Edited by admin on Tue Apr 01 16:38:04 GMT 2025

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CHEBI

15949

Created by admin on Tue Apr 01 16:38:04 GMT 2025 , Edited by admin on Tue Apr 01 16:38:04 GMT 2025

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