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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H13NO6
Molecular Weight 267.2347
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(BENZYLOXYCARBONYL)ASPARTIC ACID

SMILES

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

InChI

InChIKey=XYXYXSKSTZAEJW-VIFPVBQESA-N
InChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H13NO6
Molecular Weight 267.2347
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 09:09:21 GMT 2023
Edited
by admin
on Sat Dec 16 09:09:21 GMT 2023
Record UNII
56P9JC41T2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(BENZYLOXYCARBONYL)ASPARTIC ACID
Systematic Name English
NSC-88479
Code English
N-((PHENYLMETHOXY)CARBONYL)-L-ASPARTIC ACID
Systematic Name English
L-ASPARTIC ACID, N-((PHENYLMETHOXY)CARBONYL)-
Systematic Name English
N-(BENZYLOXYCARBONYL)-L-ASPARTIC ACID
Systematic Name English
(S)-2-(((BENZYLOXY)CARBONYL)AMINO)BUTANEDIOIC ACID
Systematic Name English
J80.205K
Code English
NSC-9972
Code English
ASPARTIC ACID, N-CARBOXY-, N-BENZYL ESTER, L-
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
214-568-4
Created by admin on Sat Dec 16 09:09:21 GMT 2023 , Edited by admin on Sat Dec 16 09:09:21 GMT 2023
PRIMARY
NSC
88479
Created by admin on Sat Dec 16 09:09:21 GMT 2023 , Edited by admin on Sat Dec 16 09:09:21 GMT 2023
PRIMARY
PUBCHEM
2723942
Created by admin on Sat Dec 16 09:09:21 GMT 2023 , Edited by admin on Sat Dec 16 09:09:21 GMT 2023
PRIMARY
CAS
1152-61-0
Created by admin on Sat Dec 16 09:09:21 GMT 2023 , Edited by admin on Sat Dec 16 09:09:21 GMT 2023
PRIMARY
NSC
9972
Created by admin on Sat Dec 16 09:09:21 GMT 2023 , Edited by admin on Sat Dec 16 09:09:21 GMT 2023
PRIMARY
FDA UNII
56P9JC41T2
Created by admin on Sat Dec 16 09:09:21 GMT 2023 , Edited by admin on Sat Dec 16 09:09:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID9027368
Created by admin on Sat Dec 16 09:09:21 GMT 2023 , Edited by admin on Sat Dec 16 09:09:21 GMT 2023
PRIMARY