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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22ClNO3
Molecular Weight 299.793
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S)-N-TERT-BUTOXYCARBONYL-3-AMINO-1-CHLORO-2-HYDROXY-4-PHENYLBUTANE

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CCl

InChI

InChIKey=GFGQSTIUFXHAJS-QWHCGFSZSA-N
InChI=1S/C15H22ClNO3/c1-15(2,3)20-14(19)17-12(13(18)10-16)9-11-7-5-4-6-8-11/h4-8,12-13,18H,9-10H2,1-3H3,(H,17,19)/t12-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H22ClNO3
Molecular Weight 299.793
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 09:06:26 GMT 2025
Edited
by admin
on Wed Apr 02 09:06:26 GMT 2025
Record UNII
KAW3VT1CPJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S)-(-)-3-TERT-BUTOXYCARBONYLAMINO-1-CHLORO-2-HYDROXY-4-PHENYLBUTANE
Preferred Name English
(2S,3S)-N-TERT-BUTOXYCARBONYL-3-AMINO-1-CHLORO-2-HYDROXY-4-PHENYLBUTANE
Systematic Name English
CARBAMIC ACID, N-((1S,2S)-3-CHLORO-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-, 1,1-DIMETHYLETHYL ESTER
Systematic Name English
Code System Code Type Description
CAS
165727-45-7
Created by admin on Wed Apr 02 09:06:26 GMT 2025 , Edited by admin on Wed Apr 02 09:06:26 GMT 2025
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FDA UNII
KAW3VT1CPJ
Created by admin on Wed Apr 02 09:06:26 GMT 2025 , Edited by admin on Wed Apr 02 09:06:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID90428052
Created by admin on Wed Apr 02 09:06:26 GMT 2025 , Edited by admin on Wed Apr 02 09:06:26 GMT 2025
PRIMARY
PUBCHEM
7146645
Created by admin on Wed Apr 02 09:06:26 GMT 2025 , Edited by admin on Wed Apr 02 09:06:26 GMT 2025
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