Synonyms:
Status: Phase 3
Entry Type: Protein
Molecule Category: Parent
UNII: ZN3R5560ZV

Structure

InChI Key ORFLZNAGUTZRLQ-ZMBVWFSWSA-N
Smile CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C(C)C
InChI
InChI=1S/C32H55N9O10/c1-16(2)12-20(38-30(49)26(17(3)4)39-24(44)14-35-23(43)13-33)28(47)40-27(18(5)6)31(50)37-19(9-10-22(34)42)32(51)41-11-7-8-21(41)29(48)36-15-25(45)46/h16-21,26-27H,7-15,33H2,1-6H3,(H2,34,42)(H,35,43)(H,36,48)(H,37,50)(H,38,49)(H,39,44)(H,40,47)(H,45,46)/t19-,20-,21-,26-,27-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H55N9O10
Molecular Weight 725.85
AlogP -3.18
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 9.0
Number of Rotational Bond 21.0
Polar Surface Area 301.32
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 51.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Celiac Disease 3 D002446 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 258818-34-7
ChEMBL CHEMBL2105646
DrugBank DB05645
EPA CompTox DTXSID30180526
FDA SRS ZN3R5560ZV
PubChem 9810532
SureChEMBL SCHEMBL23668120
ZINC ZINC000068009799