Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C88H140N22O22S8 |
| Molecular Weight | 2114.707 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 21 / 21 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H]3CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC4=CNC5=C4C=CC=C5)C(=O)N[C@@H](C(C)C)C(=O)N3)[C@H](C)SSC[C@H](NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)NCC(=O)N[C@H]6[C@H](C)SSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CSS[C@H]2C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC6=O)C(C)C)C(=O)NCCCCCCCN
InChI
InChIKey=MJFUYPWGLCNESS-GDXMLLAJSA-N
InChI=1S/C88H140N22O22S8/c1-15-45(10)68-85(129)97-54(25-26-65(114)115)77(121)102-60-39-136-139-48(13)70(110-82(126)61-37-134-133-36-52(90)73(117)100-58(35-111)74(118)93-33-63(112)96-57(80(124)107-67(44(8)9)83(127)103-61)31-50-32-92-53-24-20-19-23-51(50)53)87(131)99-56(30-42(4)5)79(123)109-71(88(132)108-68)49(14)140-137-40-62-81(125)95-46(11)72(116)101-59(75(119)91-28-22-18-16-17-21-27-89)38-135-138-47(12)69(105-64(113)34-94-76(60)120)86(130)98-55(29-41(2)3)78(122)106-66(43(6)7)84(128)104-62/h19-20,23-24,32,41-49,52,54-62,66-71,92,111H,15-18,21-22,25-31,33-40,89-90H2,1-14H3,(H,91,119)(H,93,118)(H,94,120)(H,95,125)(H,96,112)(H,97,129)(H,98,130)(H,99,131)(H,100,117)(H,101,116)(H,102,121)(H,103,127)(H,104,128)(H,105,113)(H,106,122)(H,107,124)(H,108,132)(H,109,123)(H,110,126)(H,114,115)/t45-,46-,47-,48-,49-,52-,54-,55-,56-,57-,58-,59-,60-,61-,62-,66-,67-,68-,69-,70+,71+/m0/s1
| Molecular Formula | C88H140N22O22S8 |
| Molecular Weight | 2114.707 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 21 / 21 |
| E/Z Centers | 2 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 16:40:24 GMT 2025
by
admin
on
Tue Apr 01 16:40:24 GMT 2025
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| Record UNII |
WVE35GUF46
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| Record Status |
Validated (UNII)
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| Record Version |
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1234801-12-7
Created by
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171389983
Created by
admin on Tue Apr 01 16:40:24 GMT 2025 , Edited by admin on Tue Apr 01 16:40:24 GMT 2025
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WVE35GUF46
Created by
admin on Tue Apr 01 16:40:24 GMT 2025 , Edited by admin on Tue Apr 01 16:40:24 GMT 2025
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PRIMARY |
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TARGET ORGANISM->INHIBITOR |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
Originator: Novacta Biosystems; Developer: Novacta; Class: Antibacterial, Bacteriocin, Peptide
Mechanism of Action: Cell wall inhibitor; Highest Development Phase: Phase I for Clostridium infections; Most Recent Events: 22 Jan 2016 NVB 302 is still in phase I development for Clostridium infections in United Kingdom, 24 Aug 2011 Phase-I clinical trials in Clostridium infections in United Kingdom (PO), 15 Sep 2009 Antimicrobial data from a preclinical trial in Bacterial infections presented at the 49th Interscience Conference on Antimicrobial Agents and Chemotherapy (ICAAC-2009)
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ACTIVE MOIETY |
Ceftriaxone instillation promoted C. difficile germination and high-level toxin production. Commencement of NVB302 and vancomycin instillation reduced C. difficile total viable counts rapidly with only C. difficile spores remaining within 3 and 4 days, respectively. Cytotoxin was reduced to undetectable levels 5 and 7 days after vancomycin and NVB302 instillation commenced in vessel 2 and 3, respectively, and remained undetectable for the remainder of the experiments. C. difficile spores were unaffected by the presence of vancomycin or NVB302. NVB302 treatment was associated with faster resolution of Bacteroides fragilis group.
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