(6S,9S,12S,15S,18S,21S,24S)-1,6-diamino-9,12,15-tris(3-guanidinopropyl)-1-imino-25-(naphthalen-2-yl)-18,21-bis(naphthalen-2-ylmethyl)-7,10,13,16,19,22-hexaoxo-2,8,11,14,17,20,23-heptaazapentacosane-24-carboxylic acid

ID: ALA5206948

Chembl Id: CHEMBL5206948

PubChem CID: 168297002

Max Phase: Preclinical

Molecular Formula: C63H83N19O8

Molecular Weight: 1234.48

Names and Identifiers

Canonical SMILES:  N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

Standard InChI:  InChI=1S/C63H83N19O8/c64-46(17-7-27-73-60(65)66)53(83)77-47(18-8-28-74-61(67)68)54(84)78-48(19-9-29-75-62(69)70)55(85)79-49(20-10-30-76-63(71)72)56(86)80-50(34-37-21-24-40-11-1-4-14-43(40)31-37)57(87)81-51(35-38-22-25-41-12-2-5-15-44(41)32-38)58(88)82-52(59(89)90)36-39-23-26-42-13-3-6-16-45(42)33-39/h1-6,11-16,21-26,31-33,46-52H,7-10,17-20,27-30,34-36,64H2,(H,77,83)(H,78,84)(H,79,85)(H,80,86)(H,81,87)(H,82,88)(H,89,90)(H4,65,66,73)(H4,67,68,74)(H4,69,70,75)(H4,71,72,76)/t46-,47-,48-,49-,50-,51-,52-/m0/s1

Standard InChI Key:  MTHWFXLGZMUTKD-IURAFAQNSA-N

Alternative Forms

1. Parent:

   

   ALA5206948

   ---

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: 1234.48

Molecular Weight (Monoisotopic): 1233.6672

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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