1-[3-[(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-5-(4-aminobutyl)-20,23,26,29-tetrakis(3-guanidinopropyl)-8,11,14,17-tetrakis(1H-indol-3-ylmethyl)-3,6,9,12,15,18,21,24,27,30-decaoxo-1,4,7,10,13,16,19,22,25,28-decazacyclotriacont-2-yl]propyl]guanidine

ID: ALA5208235

Chembl Id: CHEMBL5208235

PubChem CID: 168297714

Max Phase: Preclinical

Molecular Formula: C80H112N30O10

Molecular Weight: 1653.98

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](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](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O

Standard InChI:  InChI=1S/C80H112N30O10/c81-30-10-9-24-56-71(116)107-63(37-45-41-98-53-21-6-2-17-49(45)53)73(118)109-65(39-47-43-100-55-23-8-4-19-51(47)55)75(120)110-64(38-46-42-99-54-22-7-3-18-50(46)54)74(119)108-62(36-44-40-97-52-20-5-1-16-48(44)52)72(117)106-61(29-15-35-96-80(90)91)70(115)105-60(28-14-34-95-79(88)89)69(114)104-59(27-13-33-94-78(86)87)68(113)103-58(26-12-32-93-77(84)85)67(112)102-57(66(111)101-56)25-11-31-92-76(82)83/h1-8,16-23,40-43,56-65,97-100H,9-15,24-39,81H2,(H,101,111)(H,102,112)(H,103,113)(H,104,114)(H,105,115)(H,106,117)(H,107,116)(H,108,119)(H,109,118)(H,110,120)(H4,82,83,92)(H4,84,85,93)(H4,86,87,94)(H4,88,89,95)(H4,90,91,96)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1

Standard InChI Key:  NLLDAIRUXYYQHI-RDPZKNQHSA-N

Alternative Forms

1. Parent:

   

   ALA5208235

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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: 1653.98

Molecular Weight (Monoisotopic): 1652.9178

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References

1. Mohammed EHM, Lohan S, Tiwari RK, Parang K..  (2022)  Amphiphilic cyclic peptide [W₄KR₅]-Antibiotics combinations as broad-spectrum antimicrobial agents.,  235  [PMID:35339840] [10.1016/j.ejmech.2022.114278]

Source

Source(1):

• Scientific Literature