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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H20ClNO3
Molecular Weight 297.777
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TERT-BUTYL (S)-(4-CHLORO-3-OXO-1-PHENYLBUTAN-2-YL)CARBAMATE

SMILES

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

InChI

InChIKey=JAKDNFBATYIEIE-LBPRGKRZSA-N
InChI=1S/C15H20ClNO3/c1-15(2,3)20-14(19)17-12(13(18)10-16)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,19)/t12-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
TERT-BUTYL (S)-(4-CHLORO-3-OXO-1-PHENYLBUTAN-2-YL)CARBAMATE
Systematic Name English
CARBAMIC ACID, N-((1S)-3-CHLORO-2-OXO-1-(PHENYLMETHYL)PROPYL)-, 1,1-DIMETHYLETHYL ESTER
Systematic Name English
(3S)-(-)-3-TERT-BUTOXYCARBONYLAMINO-1-CHLORO-4-PHENYL-2-BUTANONE
Systematic Name English
Code System Code Type Description
PUBCHEM
9926241
Created by admin on Sat Dec 16 17:52:30 GMT 2023 , Edited by admin on Sat Dec 16 17:52:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID40432942
Created by admin on Sat Dec 16 17:52:30 GMT 2023 , Edited by admin on Sat Dec 16 17:52:30 GMT 2023
PRIMARY
CAS
102123-74-0
Created by admin on Sat Dec 16 17:52:30 GMT 2023 , Edited by admin on Sat Dec 16 17:52:30 GMT 2023
PRIMARY
FDA UNII
UV1OR154Q5
Created by admin on Sat Dec 16 17:52:30 GMT 2023 , Edited by admin on Sat Dec 16 17:52:30 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966