Drug Information

Drug General Information
Drug ID
D0A3LJ
Former ID
DNC004086
Drug Name
Sul-Pro-Phe-N-MeHis-LVA-Ile-Amp
Indication Discovery agent Investigative [530554]
Structure
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2D MOL

3D MOL
Formula
C56H85N10NaO11S
Canonical SMILES
CCC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C(CC(C(CC(C)C)NC(=O)C(<br />CC2=CN=CN2)N(C)C(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4C(=O)CC<br />CCCCC(=O)N(C)CCS(=O)(=O)[O-])O)C(C)C.[Na+]
InChI
1S/C56H86N10O11S.Na/c1-9-39(6)51(55(73)59-35-41-22-17-18-26-58-41)63-52(70)43(38(4)5)33-48(67)44(30-37(2)3)61-54(72)47(32-42-34-57-36-60-42)65(8)56(74)45(31-40-20-13-12-14-21-40)62-53(71)46-23-19-27-66(46)50(69)25-16-11-10-15-24-49(68)64(7)28-29-78(75,76)77;/h12-14,17-18,20-22,26,34,36-39,43-48,51,67H,9-11,15-16,19,23-25,27-33,35H2,1-8H3,(H,57,60)(H,59,73)(H,61,72)(H,62,71)(H,63,70)(H,75,76,77);/q;+1/p-1
InChIKey
RCOSBSCBKACBAF-UHFFFAOYSA-M
PubChem Compound ID
23712949
Target and Pathway
Target(s) Renin, renal Target Info Inhibitor [530554]
KEGG Pathway Renin-angiotensin system
PathWhiz Pathway Angiotensin Metabolism
Reactome Metabolism of Angiotensinogen to Angiotensins
WikiPathways ACE Inhibitor Pathway
Metabolism of Angiotensinogen to Angiotensins
References
Ref 530554J Med Chem. 1991 Feb;34(2):633-42.Renin inhibitory peptides. Incorporation of polar, hydrophilic end groups into an active renin inhibitory peptide template and their evaluation in a human renin infused rat model and in conscious sodium-depleted monkeys.
Ref 530554J Med Chem. 1991 Feb;34(2):633-42.Renin inhibitory peptides. Incorporation of polar, hydrophilic end groups into an active renin inhibitory peptide template and their evaluation in a human renin infused rat model and in conscious sodium-depleted monkeys.

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