1,,,-(3,3',3'',3'''-((2S,5S,8S,11S,14S,17S,20S)-14,17,20-tribenzhydryl-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptaazacyclohenicosane-2,5,8,11-tetrayl)tetrakis(propane-3,1-diyl))tetraguanidine

ID: ALA5170631

Chembl Id: CHEMBL5170631

PubChem CID: 168268980

Max Phase: Preclinical

Molecular Formula: C69H87N19O7

Molecular Weight: 1294.58

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](C(c2ccccc2)c2ccccc2)NC(=O)[C@H](C(c2ccccc2)c2ccccc2)NC(=O)[C@H](C(c2ccccc2)c2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O

Standard InChI:  InChI=1S/C69H87N19O7/c70-66(71)78-39-19-35-49-59(89)82-50(36-20-40-79-67(72)73)60(90)84-52(38-22-42-81-69(76)77)62(92)86-57(54(45-27-11-3-12-28-45)46-29-13-4-14-30-46)64(94)88-58(55(47-31-15-5-16-32-47)48-33-17-6-18-34-48)65(95)87-56(53(43-23-7-1-8-24-43)44-25-9-2-10-26-44)63(93)85-51(61(91)83-49)37-21-41-80-68(74)75/h1-18,23-34,49-58H,19-22,35-42H2,(H,82,89)(H,83,91)(H,84,90)(H,85,93)(H,86,92)(H,87,95)(H,88,94)(H4,70,71,78)(H4,72,73,79)(H4,74,75,80)(H4,76,77,81)/t49-,50-,51-,52-,56-,57-,58-/m0/s1

Standard InChI Key:  HEBCCJHHJLJQEG-LMAIDTCZSA-N

Alternative Forms

1. Parent:

   

   ALA5170631

   ---

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: 1294.58

Molecular Weight (Monoisotopic): 1293.7036

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References

1. Lohan S, Mandal D, Choi W, Konshina AG, Tiwari RK, Efremov RG, Maslennikov I, Parang K..  (2022)  Small Amphiphilic Peptides: Activity Against a Broad Range of Drug-Resistant Bacteria and Structural Insight into Membranolytic Properties.,  65  (1.0): [PMID:34978443] [10.1021/acs.jmedchem.1c01782]

Source

Source(1):

• Scientific Literature