U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

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

Approval Year

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)-
Common 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 Sat Dec 16 13:29:37 GMT 2023 , Edited by admin on Sat Dec 16 13:29:37 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
A652F51BH0
Created by admin on Sat Dec 16 13:29:37 GMT 2023 , Edited by admin on Sat Dec 16 13:29:37 GMT 2023
PRIMARY
CAS
142131-37-1
Created by admin on Sat Dec 16 13:29:37 GMT 2023 , Edited by admin on Sat Dec 16 13:29:37 GMT 2023
PRIMARY
PUBCHEM
66898913
Created by admin on Sat Dec 16 13:29:37 GMT 2023 , Edited by admin on Sat Dec 16 13:29:37 GMT 2023
PRIMARY