Arg-Pro-Pro-Gly-Leu-Pro-Val-Arg-Ser-Phe-Ser-Pro-Leu-Arg-NH2

ID: ALA3600573

PubChem CID: 122184367

Max Phase: Preclinical

Molecular Formula: C72H120N24O16

Molecular Weight: 1577.90

Molecule Type: Protein

Names and Identifiers

Canonical SMILES:  CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O

Standard InChI:  InChI=1S/C72H120N24O16/c1-39(2)33-46(59(102)86-44(57(74)100)20-11-27-82-71(77)78)89-63(106)52-23-14-30-94(52)68(111)50(38-98)91-60(103)47(35-42-17-8-7-9-18-42)88-61(104)49(37-97)90-58(101)45(21-12-28-83-72(79)80)87-65(108)56(41(5)6)92-64(107)53-24-15-29-93(53)67(110)48(34-40(3)4)85-55(99)36-84-62(105)51-22-13-31-95(51)69(112)54-25-16-32-96(54)66(109)43(73)19-10-26-81-70(75)76/h7-9,17-18,39-41,43-54,56,97-98H,10-16,19-38,73H2,1-6H3,(H2,74,100)(H,84,105)(H,85,99)(H,86,102)(H,87,108)(H,88,104)(H,89,106)(H,90,101)(H,91,103)(H,92,107)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,56-/m0/s1

Standard InChI Key:  VCONVYFEAGACEF-XMNUZWRVSA-N

Molfile:  

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M  END

Alternative Forms

1. Parent:

   

   ALA3600573

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Protein

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1577.90

Molecular Weight (Monoisotopic): 1576.9314

AlogP: ┄

#Rotatable Bonds: ┄

Polar Surface Area: ┄

Molecular Species: ┄

HBA: ┄

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): ┄

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: ┄

CX LogP: ┄

CX LogD: ┄

Aromatic Rings: ┄

Heavy Atoms: ┄

QED Weighted: ┄

Np Likeness Score: ┄

References

1. Silva AF, Alves FL, Pedron CN, Torres MD, Silva LS, Pinheiro AA, Miranda A, Oliveira VX..  (2015)  Anti-plasmodial activity of bradykinin and analogs.,  25  (16): [PMID:26077496] [10.1016/j.bmcl.2015.05.071]

Source

Source(1):

• Scientific Literature