2-((4-AMINOPHENYL)METHYL)NOTA

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H28N4O6
Molecular Weight	408.4488
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-((4-AMINOPHENYL)METHYL)NOTA

Structure Search

SMILES

NC1=CC=C(C[C@H]2CN(CC(O)=O)CCN(CC(O)=O)CCN2CC(O)=O)C=C1

InChI

InChIKey=ASIIOGDNZILDQE-INIZCTEOSA-N

InChI=1S/C19H28N4O6/c20-15-3-1-14(2-4-15)9-16-10-22(12-18(26)27)6-5-21(11-17(24)25)7-8-23(16)13-19(28)29/h1-4,16H,5-13,20H2,(H,24,25)(H,26,27)(H,28,29)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H28N4O6
Molecular Weight	408.4488
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 `Tue Apr 01 20:46:48 GMT 2025` Edited by `admin` on `Tue Apr 01 20:46:48 GMT 2025`
Record UNII	A652F51BH0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-((4-AMINOPHENYL)METHYL)NOTA

Common Name

English

1H-1,4,7-TRIAZONINE-1,4,7-TRIACETIC ACID, 2-((4-AMINOPHENYL)METHYL)HEXAHYDRO-, (2S)-

Preferred Name

English

1H-1,4,7-TRIAZONINE-1,4,7-TRIACETIC ACID, 2-((4-AMINOPHENYL)METHYL)HEXAHYDRO-, (S)-

Systematic Name

English

Code System Code Type Description

CAS

147597-65-7

Created by admin on Tue Apr 01 20:46:48 GMT 2025 , Edited by admin on Tue Apr 01 20:46:48 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

A652F51BH0

Created by admin on Tue Apr 01 20:46:48 GMT 2025 , Edited by admin on Tue Apr 01 20:46:48 GMT 2025

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CAS

142131-37-1

Created by admin on Tue Apr 01 20:46:48 GMT 2025 , Edited by admin on Tue Apr 01 20:46:48 GMT 2025

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PUBCHEM

66898913

Created by admin on Tue Apr 01 20:46:48 GMT 2025 , Edited by admin on Tue Apr 01 20:46:48 GMT 2025

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