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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H56N6O5
Molecular Weight 556.7814
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TETRADECYL AMINOBUTYROYLVALYLAMINOBUTYRIC UREA

SMILES

CCCCCCCCCCCCCCNC(=O)N[C@@H](CCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCN)C(O)=O

InChI

InChIKey=DDWCWYYWIDWXSB-HJOGWXRNSA-N
InChI=1S/C28H56N6O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-31-28(39)33-22(16-18-29)25(35)34-24(21(2)3)26(36)32-23(17-19-30)27(37)38/h21-24H,4-20,29-30H2,1-3H3,(H,32,36)(H,34,35)(H,37,38)(H2,31,33,39)/t22-,23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H56N6O5
Molecular Weight 556.7814
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:24:10 GMT 2023
Edited
by admin
on Sat Dec 16 14:24:10 GMT 2023
Record UNII
ICI9WA3M5L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TETRADECYL AMINOBUTYROYLVALYLAMINOBUTYRIC UREA
Common Name English
3,6,9,11-TETRAAZAPENTACOSANOIC ACID, 2,8-BIS(2-AMINOETHYL)-5-(1-METHYLETHYL)-4,7,10-TRIOXO-, (2S,5S,8S)-
Systematic Name English
TETRADECYLAMINOCARBONYL-DAB-VAL-DAB
Common Name English
Code System Code Type Description
PUBCHEM
46931485
Created by admin on Sat Dec 16 14:24:11 GMT 2023 , Edited by admin on Sat Dec 16 14:24:11 GMT 2023
PRIMARY
CAS
794590-95-7
Created by admin on Sat Dec 16 14:24:11 GMT 2023 , Edited by admin on Sat Dec 16 14:24:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID901334106
Created by admin on Sat Dec 16 14:24:11 GMT 2023 , Edited by admin on Sat Dec 16 14:24:11 GMT 2023
PRIMARY
FDA UNII
ICI9WA3M5L
Created by admin on Sat Dec 16 14:24:11 GMT 2023 , Edited by admin on Sat Dec 16 14:24:11 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT