Structure

InChI Key BENFXAYNYRLAIU-QSVFAHTRSA-N
Smile NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
InChI
InChI=1S/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C52H74N16O15S2
Molecular Weight 1227.39
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Renal Insufficiency 3 D051437 ClinicalTrials
Liver Cirrhosis 3 D008103 ClinicalTrials
Renal Insufficiency 3 D051437 ClinicalTrials
Hemoptysis 3 D006469 ClinicalTrials
Shock, Septic 2 D012772 ClinicalTrials
Hemorrhage 2 D006470 ClinicalTrials
Liver Failure 2 D017093 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 14636-12-5
ChEBI 135905
ChEMBL CHEMBL2135460
DrugBank DB02638
DrugCentral 2967
EPA CompTox DTXSID7048952
FDA SRS 7Z5X49W53P
Human Metabolome Database HMDB0015569
Guide to Pharmacology 11241
PharmGKB PA164781020
PubChem 72081
SureChEMBL SCHEMBL22699