Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: YPM97423DB

Structure

InChI Key YCZPXRQPDCXTIO-BBBLOLIVSA-N
Smile O=C(NNC(=O)[C@@H]1CCCNC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O
InChI
InChI=1S/C13H21N5O7S/c19-11(8-2-1-5-14-6-8)15-16-12(20)10-4-3-9-7-17(10)13(21)18(9)25-26(22,23)24/h8-10,14H,1-7H2,(H,15,19)(H,16,20)(H,22,23,24)/t8-,9-,10+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H21N5O7S
Molecular Weight 391.41
AlogP -1.86
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 157.38
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 26.0

Cross References

Resources Reference
ChEMBL CHEMBL4533605
FDA SRS YPM97423DB
Guide to Pharmacology 10874
SureChEMBL SCHEMBL16151824