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Details

Stereochemistry ACHIRAL
Molecular Formula C27H28N6O4
Molecular Weight 500.549
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 3-(3-(2-((4-cyanophenyl)amino)acetamido)-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate

SMILES

CCOC(=O)CCN(C(=O)C1=CC(NC(=O)CNC2=CC=C(C=C2)C#N)=C(NC)C=C1)C3=CC=CC=N3

InChI

InChIKey=YSRISVJGBBRNHY-UHFFFAOYSA-N
InChI=1S/C27H28N6O4/c1-3-37-26(35)13-15-33(24-6-4-5-14-30-24)27(36)20-9-12-22(29-2)23(16-20)32-25(34)18-31-21-10-7-19(17-28)8-11-21/h4-12,14,16,29,31H,3,13,15,18H2,1-2H3,(H,32,34)

HIDE SMILES / InChI

Molecular Formula C27H28N6O4
Molecular Weight 500.549
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 19:47:20 GMT 2023
Edited
by admin
on Sat Dec 16 19:47:20 GMT 2023
Record UNII
5DTT3ZVD3H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 3-(3-(2-((4-cyanophenyl)amino)acetamido)-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate
Systematic Name English
N-(4-Cyanophenyl)glycyl-3-amino-4-(methylamino)benzoyl-N-2-pyridinyl-β-alanine ethyl ester
Systematic Name English
β-Alanine, N-(4-cyanophenyl)glycyl-3-amino-4-(methylamino)benzoyl-N-2-pyridinyl-, ethyl ester
Common Name English
Code System Code Type Description
PUBCHEM
29944107
Created by admin on Sat Dec 16 19:47:20 GMT 2023 , Edited by admin on Sat Dec 16 19:47:20 GMT 2023
PRIMARY
FDA UNII
5DTT3ZVD3H
Created by admin on Sat Dec 16 19:47:20 GMT 2023 , Edited by admin on Sat Dec 16 19:47:20 GMT 2023
PRIMARY
CAS
948551-71-1
Created by admin on Sat Dec 16 19:47:20 GMT 2023 , Edited by admin on Sat Dec 16 19:47:20 GMT 2023
PRIMARY
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