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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H22N2O3
Molecular Weight 230.304
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S)-2-(TERT-BUTYLAMINOCARBONYLAMINO)-3,3-DIMETHYLBUTANOIC ACID

SMILES

CC(C)(C)NC(=O)N[C@H](C(O)=O)C(C)(C)C

InChI

InChIKey=RAAPXVRHYBAJQU-SSDOTTSWSA-N
InChI=1S/C11H22N2O3/c1-10(2,3)7(8(14)15)12-9(16)13-11(4,5)6/h7H,1-6H3,(H,14,15)(H2,12,13,16)/t7-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
(2S)-2-(TERT-BUTYLAMINOCARBONYLAMINO)-3,3-DIMETHYLBUTANOIC ACID
Systematic Name English
N-(((1,1-DIMETHYLETHYL)AMINO)CARBONYL)-3-METHYL-L-VALINE
Common Name English
L-VALINE, N-(((1,1-DIMETHYLETHYL)AMINO)CARBONYL)-3-METHYL
Common Name English
BOCEPREVIR METABOLITE M0BA
Common Name English
SCH 503034-K
Common Name English
(S)-2-(3-TERT-BUTYLUREIDO)-3,3-DIMETHYLBUTANOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
59BAS59XBD
Created by admin on Sat Dec 16 14:48:36 GMT 2023 , Edited by admin on Sat Dec 16 14:48:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID40635370
Created by admin on Sat Dec 16 14:48:36 GMT 2023 , Edited by admin on Sat Dec 16 14:48:36 GMT 2023
PRIMARY
CAS
101968-85-8
Created by admin on Sat Dec 16 14:48:36 GMT 2023 , Edited by admin on Sat Dec 16 14:48:36 GMT 2023
PRIMARY
PUBCHEM
23659740
Created by admin on Sat Dec 16 14:48:36 GMT 2023 , Edited by admin on Sat Dec 16 14:48:36 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of BOCEPREVIR
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