TUBERACTINOMYCIN A

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6G3YJ6APT4

Structure

InChI Key JCTPGOAHEVLZAB-PRPOONDPSA-N
Smiles C1[C@@H](NC(=N[C@H]1O)N)[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=CNC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H]([C@@H](CCN)O)N
InChI
InChI=1S/C25H43N13O11/c26-2-1-15(41)9(27)3-16(42)32-11-5-30-23(48)18(10-4-17(43)37-24(28)36-10)38-20(45)12(6-31-25(29)49)33-21(46)13(7-39)35-22(47)14(8-40)34-19(11)44/h6,9-11,13-15,17-18,39-41,43H,1-5,7-8,26-27H2,(H,30,48)(H,32,42)(H,33,46)(H,34,44)(H,35,47)(H,38,45)(H3,28,36,37)(H3,29,31,49)/b12-6-/t9-,10-,11+,13+,14+,15-,17+,18+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H43N13O11
Molecular Weight 701.32
AlogP -4.25
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 18.0
Number of Rotational Bond 10.0
Polar Surface Area 432.52
Heavy Atoms 49.0

Cross References

Resources Reference
CAS NUMBER 33103-21-8
NORMAN SUSDAT
FDA SRS 6G3YJ6APT4
PubChem 20055057
ChemSpider 16736074.0
CONTENTS