Structure

InChI Key VBTZKFAHKJXHBA-PIONDTTLSA-N
Smile CC(=O)O.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChI
InChI=1S/C50H71N13O12.C2H4O2/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66;1-2(3)4/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55);1H3,(H,3,4)/t28-,33-,34-,35-,36-,37-,38-,40-,41-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C52H75N13O14
Molecular Weight 1106.25
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

Pharmacology

Action Mechanism of Action Reference
AGONIST Type-1 angiotensin II receptor agonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Shock, Septic 4 D012772 FDA

Related Entries

Scaffolds

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Vascular disorders
36.0
Investigations
9.33
Cardiac disorders
8.0
Skin and subcutaneous tissue disorders
8.0
General disorders and administration site conditions
6.67
Blood and lymphatic system disorders
4.0
Hepatobiliary disorders
4.0
Infections and infestations
4.0
Respiratory, thoracic and mediastinal disorders
4.0
Surgical and medical procedures
4.0
Product issues
2.67

Cross References

Resources Reference
ChEMBL CHEMBL3989932
FDA SRS 31L3HS630A
PubChem 172197
SureChEMBL SCHEMBL1585377