TROFINETIDE

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Synonyms
Status
Molecule Category Free-form
UNII Z2ME8F52QL

Structure

InChI Key BUSXWGRAOZQTEY-SDBXPKJASA-N
Smiles C[C@@]1(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCN1C(=O)CN
InChI
InChI=1S/C13H21N3O6/c1-13(5-2-6-16(13)9(17)7-14)12(22)15-8(11(20)21)3-4-10(18)19/h8H,2-7,14H2,1H3,(H,15,22)(H,18,19)(H,20,21)/t8-,13-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H21N3O6
Molecular Weight 315.33
AlogP -1.24
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 150.03
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 22.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL197084
DrugBank DB06045
FDA SRS Z2ME8F52QL
PubChem 11318905
SureChEMBL SCHEMBL1170014
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