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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H23N3O4
Molecular Weight 345.3929
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((1,1-DIMETHYLETHOXY)CARBONYL)-1-(PHENYLMETHYL)-L-HISTIDINE

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN(CC2=CC=CC=C2)C=N1)C(O)=O

InChI

InChIKey=OUHPNBGKEMHUCQ-HNNXBMFYSA-N
InChI=1S/C18H23N3O4/c1-18(2,3)25-17(24)20-15(16(22)23)9-14-11-21(12-19-14)10-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,20,24)(H,22,23)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H23N3O4
Molecular Weight 345.3929
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 19:08:28 GMT 2023
Edited
by admin
on Sat Dec 16 19:08:28 GMT 2023
Record UNII
9F4A95WI5Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-((1,1-DIMETHYLETHOXY)CARBONYL)-1-(PHENYLMETHYL)-L-HISTIDINE
Common Name English
N.ALPHA.-TERT-BUTOXYCARBONYL-N'-BENZYL-L-HISTIDINE
Common Name English
HISTIDINE, 1-BENZYL-N-CARBOXY-, N-TERT-BUTYL ESTER, L-
Common Name English
NSC-164043
Code English
TERT-BUTOXYCARBONYL-N-BENZYL-L-HISTIDINE
Common Name English
L-HISTIDINE, N-((1,1-DIMETHYLETHOXY)CARBONYL)-1-(PHENYLMETHYL)-
Systematic Name English
BOC-L-HIS(BN)-OH
Common Name English
Code System Code Type Description
NSC
164043
Created by admin on Sat Dec 16 19:08:28 GMT 2023 , Edited by admin on Sat Dec 16 19:08:28 GMT 2023
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CAS
20898-44-6
Created by admin on Sat Dec 16 19:08:28 GMT 2023 , Edited by admin on Sat Dec 16 19:08:28 GMT 2023
PRIMARY
PUBCHEM
6993429
Created by admin on Sat Dec 16 19:08:28 GMT 2023 , Edited by admin on Sat Dec 16 19:08:28 GMT 2023
PRIMARY
FDA UNII
9F4A95WI5Z
Created by admin on Sat Dec 16 19:08:28 GMT 2023 , Edited by admin on Sat Dec 16 19:08:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID20885154
Created by admin on Sat Dec 16 19:08:28 GMT 2023 , Edited by admin on Sat Dec 16 19:08:28 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-105-1
Created by admin on Sat Dec 16 19:08:28 GMT 2023 , Edited by admin on Sat Dec 16 19:08:28 GMT 2023
PRIMARY