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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H21NO6
Molecular Weight 323.341
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid

SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(O)=O

InChI

InChIKey=SOHLZANWVLCPHK-LBPRGKRZSA-N
InChI=1S/C16H21NO6/c1-16(2,3)23-15(21)17-12(14(19)20)9-13(18)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H21NO6
Molecular Weight 323.341
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:55:51 GMT 2023
Edited
by admin
on Sat Dec 16 12:55:51 GMT 2023
Record UNII
LQ5UR33F4Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid
Systematic Name English
T-BUTYLOXYCARBONYLASPARTIC ACID ALPHA-BENZYL ESTER
Common Name English
Aspartic acid, N-carboxy-, 4-benzyl N-tert-butyl ester, L-
Systematic Name English
L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester
Systematic Name English
β-Benzyl N-tert-butoxycarbonylaspartate
Common Name English
Boc-L-Asp(OBn)-OH
Common Name English
NSC-118538
Code English
Code System Code Type Description
NSC
118538
Created by admin on Sat Dec 16 12:55:51 GMT 2023 , Edited by admin on Sat Dec 16 12:55:51 GMT 2023
PRIMARY
ECHA (EC/EINECS)
231-406-8
Created by admin on Sat Dec 16 12:55:51 GMT 2023 , Edited by admin on Sat Dec 16 12:55:51 GMT 2023
PRIMARY
CAS
7536-58-5
Created by admin on Sat Dec 16 12:55:51 GMT 2023 , Edited by admin on Sat Dec 16 12:55:51 GMT 2023
PRIMARY
PUBCHEM
1581888
Created by admin on Sat Dec 16 12:55:51 GMT 2023 , Edited by admin on Sat Dec 16 12:55:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID40884402
Created by admin on Sat Dec 16 12:55:51 GMT 2023 , Edited by admin on Sat Dec 16 12:55:51 GMT 2023
PRIMARY
FDA UNII
LQ5UR33F4Q
Created by admin on Sat Dec 16 12:55:51 GMT 2023 , Edited by admin on Sat Dec 16 12:55:51 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY