1-[3-[(2S,5S,8S,11S,14S,17S,20S,23S,26S)-5,8,11,14-tetrakis(3-guanidinopropyl)-17,20,23,26-tetrakis(1H-indol-3-ylmethyl)-3,6,9,12,15,18,21,24,27-nonaoxo-1,4,7,10,13,16,19,22,25-nonazacycloheptacos-2-yl]propyl]guanidine

ID: ALA5275124

Chembl Id: CHEMBL5275124

Max Phase: Preclinical

Molecular Formula: C74H100N28O9

Molecular Weight: 1525.80

Names and Identifiers

Canonical SMILES:  N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC1=O

Standard InChI:  InChI=1S/C74H100N28O9/c75-70(76)85-27-9-22-52-61(103)95-54(24-11-29-87-72(79)80)63(105)97-56(26-13-31-89-74(83)84)65(107)99-58(33-41-37-91-49-19-6-2-15-45(41)49)67(109)101-60(35-43-39-93-51-21-8-4-17-47(43)51)69(111)102-59(34-42-38-92-50-20-7-3-16-46(42)50)68(110)100-57(32-40-36-90-48-18-5-1-14-44(40)48)66(108)98-55(25-12-30-88-73(81)82)64(106)96-53(62(104)94-52)23-10-28-86-71(77)78/h1-8,14-21,36-39,52-60,90-93H,9-13,22-35H2,(H,94,104)(H,95,103)(H,96,106)(H,97,105)(H,98,108)(H,99,107)(H,100,110)(H,101,109)(H,102,111)(H4,75,76,85)(H4,77,78,86)(H4,79,80,87)(H4,81,82,88)(H4,83,84,89)/t52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1

Standard InChI Key:  LGUGFSQPROSJDE-SZNLTQICSA-N

Alternative Forms

1. Parent:

   

   ALA5275124

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1525.80

Molecular Weight (Monoisotopic): 1524.8228

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References

1. Mohammed EHM, Lohan S, Ghaffari T, Gupta S, Tiwari RK, Parang K..  (2022)  Membrane-Active Cyclic Amphiphilic Peptides: Broad-Spectrum Antibacterial Activity Alone and in Combination with Antibiotics.,  65  (23.0): [PMID:36442155] [10.1021/acs.jmedchem.2c01469]

Source

Source(1):

• Scientific Literature