N-((6R,9S,12R,15S,18R)-1,23-diamino-6-(((S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl)carbamoyl)-9,15-bis(cyclohexylmethyl)-12-(3-guanidinopropyl)-1,23-diimino-8,11,14,17-tetraoxo-2,7,10,13,16,22-hexaazatricosan-18-yl)-1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide

ID: ALA5272158

Chembl Id: CHEMBL5272158

Max Phase: Preclinical

Molecular Formula: C57H94N18O8

Molecular Weight: 1159.50

Names and Identifiers

Canonical SMILES:  CCn1cc(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/C57H94N18O8/c1-3-75-33-39(46(76)38-26-25-34(2)68-48(38)75)49(78)69-40(22-13-27-65-55(59)60)51(80)73-44(31-36-18-9-5-10-19-36)54(83)71-42(24-15-29-67-57(63)64)52(81)74-45(32-37-20-11-6-12-21-37)53(82)70-41(23-14-28-66-56(61)62)50(79)72-43(47(58)77)30-35-16-7-4-8-17-35/h25-26,33,35-37,40-45H,3-24,27-32H2,1-2H3,(H2,58,77)(H,69,78)(H,70,82)(H,71,83)(H,72,79)(H,73,80)(H,74,81)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t40-,41-,42-,43+,44+,45+/m1/s1

Standard InChI Key:  CLVNUIPXKDADCS-VXXFTVCRSA-N

Alternative Forms

1. Parent:

   

   ALA5272158

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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: 1159.50

Molecular Weight (Monoisotopic): 1158.7502

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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