1,,,-(3,3',3'',3'''-((2S,5S,8S,11S,14S,17S,20S)-14,17,20-tris(naphthalen-2-ylmethyl)-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: ALA5209232

Chembl Id: CHEMBL5209232

PubChem CID: 168294739

Max Phase: Preclinical

Molecular Formula: C63H81N19O7

Molecular Weight: 1216.47

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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O

Standard InChI:  InChI=1S/C63H81N19O7/c64-60(65)72-27-7-17-46-53(83)76-47(18-8-28-73-61(66)67)54(84)78-49(20-10-30-75-63(70)71)56(86)80-51(35-38-22-25-41-12-2-5-15-44(41)32-38)58(88)82-52(36-39-23-26-42-13-3-6-16-45(42)33-39)59(89)81-50(34-37-21-24-40-11-1-4-14-43(40)31-37)57(87)79-48(55(85)77-46)19-9-29-74-62(68)69/h1-6,11-16,21-26,31-33,46-52H,7-10,17-20,27-30,34-36H2,(H,76,83)(H,77,85)(H,78,84)(H,79,87)(H,80,86)(H,81,89)(H,82,88)(H4,64,65,72)(H4,66,67,73)(H4,68,69,74)(H4,70,71,75)/t46-,47-,48-,49-,50-,51-,52-/m0/s1

Standard InChI Key:  XPFWGJWXUCTSKQ-IURAFAQNSA-N

Alternative Forms

1. Parent:

   

   ALA5209232

   ---

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: 1216.47

Molecular Weight (Monoisotopic): 1215.6566

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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