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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H21NO4
Molecular Weight 279.3315
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(1S-ETHOXYCARBONYL-3-PHENYLPROPYL)-D-ALANINE

SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H](C)C(O)=O

InChI

InChIKey=CEIWXEQZZZHLDM-YPMHNXCESA-N
InChI=1S/C15H21NO4/c1-3-20-15(19)13(16-11(2)14(17)18)10-9-12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H,17,18)/t11-,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H21NO4
Molecular Weight 279.3315
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:47:54 GMT 2023
Edited
by admin
on Fri Dec 15 15:47:54 GMT 2023
Record UNII
S2LLY46BRA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(1S-ETHOXYCARBONYL-3-PHENYLPROPYL)-D-ALANINE
Common Name English
BENZENEBUTANOIC ACID, .ALPHA.-(((1R)-1-CARBOXYETHYL)AMINO)-, MONOETHYL ESTER, (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
2733600
Created by admin on Fri Dec 15 15:47:54 GMT 2023 , Edited by admin on Fri Dec 15 15:47:54 GMT 2023
PRIMARY
FDA UNII
S2LLY46BRA
Created by admin on Fri Dec 15 15:47:54 GMT 2023 , Edited by admin on Fri Dec 15 15:47:54 GMT 2023
PRIMARY
CAS
85196-26-5
Created by admin on Fri Dec 15 15:47:54 GMT 2023 , Edited by admin on Fri Dec 15 15:47:54 GMT 2023
PRIMARY