DANEGAPTIDE

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Synonyms
Status
Molecule Category Free-form
UNII PA0Y7735AT

Structure

InChI Key BIZKIHUJGMSVFD-MNOVXSKESA-N
Smiles NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
InChI
InChI=1S/C14H17N3O4/c15-7-12(18)17-8-10(6-11(17)14(20)21)16-13(19)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,19)(H,20,21)/t10-,11+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H17N3O4
Molecular Weight 291.31
AlogP -0.57
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 112.73
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 21.0

Cross References

Resources Reference
ChEMBL CHEMBL560592
DrugBank DB11821
FDA SRS PA0Y7735AT
SureChEMBL SCHEMBL2399763
ZINC ZINC000040836075
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