TALTOBULIN

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J6D6912BXS

Structure

InChI Key CNTMOLDWXSVYKD-PSRNMDMQSA-N
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)c1ccccc1
InChI
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H43N3O4
Molecular Weight 473.33
AlogP 4.44
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 102.23
Heavy Atoms 34.0

Cross References

Resources Reference
CAS NUMBER 228266-40-8
NORMAN SUSDAT
FDA SRS J6D6912BXS
CONTENTS