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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H23ClN2O5
Molecular Weight 370.828
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl (2S)-2-[[(2R)-2-chloro-1-oxopropyl](phenylmethyl)amino]-4-[(methoxycarbonyl)amino]butanoate

SMILES

COC(=O)NCC[C@H](N(CC1=CC=CC=C1)C(=O)[C@@H](C)Cl)C(=O)OC

InChI

InChIKey=FWAKVCFKDUUDQV-OCCSQVGLSA-N
InChI=1S/C17H23ClN2O5/c1-12(18)15(21)20(11-13-7-5-4-6-8-13)14(16(22)24-2)9-10-19-17(23)25-3/h4-8,12,14H,9-11H2,1-3H3,(H,19,23)/t12-,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H23ClN2O5
Molecular Weight 370.828
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 Wed Apr 02 21:08:06 GMT 2025
Edited
by admin
on Wed Apr 02 21:08:06 GMT 2025
Record UNII
5L9QZV6U9S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl (2S)-2-[[(2R)-2-chloro-1-oxopropyl](phenylmethyl)amino]-4-[(methoxycarbonyl)amino]butanoate
Systematic Name English
Butanoic acid, 2-[[(2R)-2-chloro-1-oxopropyl](phenylmethyl)amino]-4-[(methoxycarbonyl)amino]-, methyl ester, (2S)-
Preferred Name English
Code System Code Type Description
FDA UNII
5L9QZV6U9S
Created by admin on Wed Apr 02 21:08:06 GMT 2025 , Edited by admin on Wed Apr 02 21:08:06 GMT 2025
PRIMARY
CAS
2230683-27-7
Created by admin on Wed Apr 02 21:08:06 GMT 2025 , Edited by admin on Wed Apr 02 21:08:06 GMT 2025
PRIMARY
PUBCHEM
142384286
Created by admin on Wed Apr 02 21:08:06 GMT 2025 , Edited by admin on Wed Apr 02 21:08:06 GMT 2025
PRIMARY