7,26-di(3-hydroxy-2-quinolylcarboxamido)-11,30-diisopropyl-12,15,31,34-tetramethyl-6,10,13,16,19,25,29,32,35,38-decaoxoperhydrodipyrido[2,1-l:2,1-b1][1,17,4,7,10,13,20,23,26,29]dioxaoctaazacyclodotriacontine

ID: ALA441158

Chembl Id: CHEMBL441158

PubChem CID: 485905

Max Phase: Preclinical

Molecular Formula: C60H76N12O16

Molecular Weight: 1221.34

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC(C)[C@H]1C(=O)OC[C@@H](NC(=O)c2nc3ccccc3cc2O)C(=O)N2CCCC[C@H]2C(=O)NCC(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)OC[C@@H](NC(=O)c2nc3ccccc3cc2O)C(=O)N2CCCC[C@H]2C(=O)NCC(=O)N(C)CC(=O)N1C

Standard InChI:  InChI=1S/C60H76N12O16/c1-33(2)51-59(85)87-31-39(65-55(81)49-43(73)25-35-17-9-11-19-37(35)63-49)57(83)71-23-15-13-21-41(71)53(79)62-28-46(76)68(6)30-48(78)70(8)52(34(3)4)60(86)88-32-40(66-56(82)50-44(74)26-36-18-10-12-20-38(36)64-50)58(84)72-24-16-14-22-42(72)54(80)61-27-45(75)67(5)29-47(77)69(51)7/h9-12,17-20,25-26,33-34,39-42,51-52,73-74H,13-16,21-24,27-32H2,1-8H3,(H,61,80)(H,62,79)(H,65,81)(H,66,82)/t39-,40-,41+,42+,51+,52+/m1/s1

Standard InChI Key:  WXIVYIYCEBUEHL-RTQGILJWSA-N

Alternative Forms

1. Parent:

   

   ALA441158

   Sandramycin

Molecule Features

Natural Product: Yes

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1221.34

Molecular Weight (Monoisotopic): 1220.5502

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References

1. Boger DL, Chen J.  (1997)  An exceptionally potent analog of sandramycin,  7  (7): [10.1016/S0960-894X(97)00129-7]

2. Kaur R, Kumar K..  (2021)  Synthetic and medicinal perspective of quinolines as antiviral agents.,  215  [PMID:33609889] [10.1016/j.ejmech.2021.113220]

Source

Source(1):

• Scientific Literature