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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H49N5O6
Molecular Weight 551.7186
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tasidotin C-carboxylate

SMILES

CC(C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(O)=O

InChI

InChIKey=KBJXXHTUXGXWFS-VUBDRERZSA-N
InChI=1S/C28H49N5O6/c1-16(2)21(29-24(34)22(17(3)4)30(7)8)26(36)31(9)23(18(5)6)27(37)32-14-10-12-19(32)25(35)33-15-11-13-20(33)28(38)39/h16-23H,10-15H2,1-9H3,(H,29,34)(H,38,39)/t19-,20-,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H49N5O6
Molecular Weight 551.7186
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:56:49 GMT 2023
Edited
by admin
on Sat Dec 16 19:56:49 GMT 2023
Record UNII
UZ39H382VU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Tasidotin C-carboxylate
Common Name English
L-Proline, N,N-dimethyl-L-valyl-L-valyl-N-methyl-L-valyl-L-prolyl-
Common Name English
N,N-Dimethyl-L-valyl-L-valyl-N-methyl-L-valyl-L-prolyl-L-proline
Common Name English
(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylicacid
Systematic Name English
Code System Code Type Description
PUBCHEM
11060690
Created by admin on Sat Dec 16 19:56:49 GMT 2023 , Edited by admin on Sat Dec 16 19:56:49 GMT 2023
PRIMARY
FDA UNII
UZ39H382VU
Created by admin on Sat Dec 16 19:56:49 GMT 2023 , Edited by admin on Sat Dec 16 19:56:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID50453683
Created by admin on Sat Dec 16 19:56:49 GMT 2023 , Edited by admin on Sat Dec 16 19:56:49 GMT 2023
PRIMARY
CAS
215393-04-7
Created by admin on Sat Dec 16 19:56:49 GMT 2023 , Edited by admin on Sat Dec 16 19:56:49 GMT 2023
PRIMARY
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