N-((6R,9S,12R,15S,18R,21S)-1-amino-6-(((S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl)carbamoyl)-22-cyclohexyl-9,15-bis(cyclohexylmethyl)-12,18-bis(3-guanidinopropyl)-1-imino-8,11,14,17,20-pentaoxo-2,7,10,13,16,19-hexaazadocosan-21-yl)-1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide

ID: ALA5286132

Chembl Id: CHEMBL5286132

Max Phase: Preclinical

Molecular Formula: C66H109N19O9

Molecular Weight: 1312.72

Names and Identifiers

Canonical SMILES:  CCn1cc(C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CC2CCCCC2)C(N)=O)c(=O)c2ccc(C)nc21

Standard InChI:  InChI=1S/C66H109N19O9/c1-3-85-39-46(54(86)45-31-30-40(2)77-56(45)85)57(88)82-51(36-42-21-10-5-11-22-42)61(92)79-48(28-17-33-75-65(70)71)59(90)84-53(38-44-25-14-7-15-26-44)63(94)80-49(29-18-34-76-66(72)73)60(91)83-52(37-43-23-12-6-13-24-43)62(93)78-47(27-16-32-74-64(68)69)58(89)81-50(55(67)87)35-41-19-8-4-9-20-41/h30-31,39,41-44,47-53H,3-29,32-38H2,1-2H3,(H2,67,87)(H,78,93)(H,79,92)(H,80,94)(H,81,89)(H,82,88)(H,83,91)(H,84,90)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t47-,48-,49-,50+,51+,52+,53+/m1/s1

Standard InChI Key:  KKKMXBILUUIZPF-UQTYJRDZSA-N

Alternative Forms

1. Parent:

   

   ALA5286132

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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: 1312.72

Molecular Weight (Monoisotopic): 1311.8656

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References

1. Dighe SN, Collet TA..  (2020)  Recent advances in DNA gyrase-targeted antimicrobial agents.,  199  [PMID:32460040] [10.1016/j.ejmech.2020.112326]

Source

Source(1):

• Scientific Literature