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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H43N3O4
Molecular Weight 473.648
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TALTOBULIN

SMILES

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](\C=C(/C)C(O)=O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1

InChI

InChIKey=CNTMOLDWXSVYKD-PSRNMDMQSA-N
InChI=1S/C27H43N3O4/c1-17(2)20(16-18(3)25(33)34)30(10)24(32)22(26(4,5)6)29-23(31)21(28-9)27(7,8)19-14-12-11-13-15-19/h11-17,20-22,28H,1-10H3,(H,29,31)(H,33,34)/b18-16+/t20-,21-,22-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TALTOBULIN
INN   USAN  
USAN   INN  
Official Name English
L-VALINAMIDE,N,.BETA.,.BETA.-TRIMETHYL-L-PHENYLALANINE-N-((1S,2E)-3-CARBOXY-1-(1-METHYLETHYL)-2-BUTENYL)-N,3-DIMETHYL
Common Name English
(4S)-4-[[(2S)-3,3-Dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]methylamino]-2,5-dimethylhex-2-enoic acid
Systematic Name English
HTI-286
Code English
TALTOBULIN [USAN]
Common Name English
taltobulin [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C67421
Created by admin on Fri Dec 15 15:40:40 UTC 2023 , Edited by admin on Fri Dec 15 15:40:40 UTC 2023
Code System Code Type Description
CAS
228266-40-8
Created by admin on Fri Dec 15 15:40:40 UTC 2023 , Edited by admin on Fri Dec 15 15:40:40 UTC 2023
PRIMARY
EPA CompTox
DTXSID2041040
Created by admin on Fri Dec 15 15:40:40 UTC 2023 , Edited by admin on Fri Dec 15 15:40:40 UTC 2023
PRIMARY
NCI_THESAURUS
C75998
Created by admin on Fri Dec 15 15:40:40 UTC 2023 , Edited by admin on Fri Dec 15 15:40:40 UTC 2023
PRIMARY
PUBCHEM
6918637
Created by admin on Fri Dec 15 15:40:40 UTC 2023 , Edited by admin on Fri Dec 15 15:40:40 UTC 2023
PRIMARY
USAN
OO-72
Created by admin on Fri Dec 15 15:40:40 UTC 2023 , Edited by admin on Fri Dec 15 15:40:40 UTC 2023
PRIMARY
SMS_ID
300000034410
Created by admin on Fri Dec 15 15:40:40 UTC 2023 , Edited by admin on Fri Dec 15 15:40:40 UTC 2023
PRIMARY
FDA UNII
J6D6912BXS
Created by admin on Fri Dec 15 15:40:40 UTC 2023 , Edited by admin on Fri Dec 15 15:40:40 UTC 2023
PRIMARY
INN
8454
Created by admin on Fri Dec 15 15:40:40 UTC 2023 , Edited by admin on Fri Dec 15 15:40:40 UTC 2023
PRIMARY
ChEMBL
CHEMBL182319
Created by admin on Fri Dec 15 15:40:40 UTC 2023 , Edited by admin on Fri Dec 15 15:40:40 UTC 2023
PRIMARY