Chemistry:Clovibactin

Clovibactin
Identifiers
	IUPAC name (3S,6S,9S,13R)-12-[[(2S)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-9-methyl-3,6-bis(2-methylpropyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridecane-13-carboxamide;
CAS Number	2247194-77-8;
PubChem CID	142449498;
Chemical and physical data
Formula	C43H70N10O11
Molar mass	903.092 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC(C)C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NC1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O[C@H]1C(N)=O;
	InChI InChI=1S/C43H70N10O11/c1-22(2)17-29-40(60)51-31(19-24(5)6)43(63)64-34(35(46)55)33(42(62)47-25(7)36(56)49-29)53-41(61)32(21-54)52-38(58)28(15-11-12-16-44)48-39(59)30(18-23(3)4)50-37(57)27(45)20-26-13-9-8-10-14-26/h8-10,13-14,22-25,27-34,54H,11-12,15-21,44-45H2,1-7H3,(H2,46,55)(H,47,62)(H,48,59)(H,49,56)(H,50,57)(H,51,60)(H,52,58)(H,53,61)/t25-,27-,28+,29-,30+,31-,32-,33?,34+/m0/s1; Key:SMQAHGKBWXPEHB-MJGFNNBQSA-N;

Short description: Investigational antibiotic

Clovibactin (Novo29) is an experimental antibiotic isolated from an uncultured soil Gram-negative β-proteobacterium Eleftheria terrae ssp. carolina, which is one of many soil bacteria.^[1]^[2]

References

↑ "An antibiotic from an uncultured bacterium binds to an immutable target". Cell 186 (19): 4059–4073.e27. August 22, 2023. doi:10.1016/j.cell.2023.07.038. PMID 37611581. Preprint:
"A new antibiotic from an uncultured bacterium binds to an immutable target". bioRxiv. May 2023. doi:10.1101/2023.05.15.540765. PMID 37292624.
↑ "Synthesis and Stereochemical Determination of the Peptide Antibiotic Novo29". The Journal of Organic Chemistry 88 (4): 2214–2220. February 2023. doi:10.1021/acs.joc.2c02648. PMID 36655882.

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Original source: https://en.wikipedia.org/wiki/Clovibactin. Read more

[pmid37292624-1] "An antibiotic from an uncultured bacterium binds to an immutable target". Cell 186 (19): 4059–4073.e27. August 22, 2023. doi:10.1016/j.cell.2023.07.038. PMID 37611581. Preprint:
"A new antibiotic from an uncultured bacterium binds to an immutable target". bioRxiv. May 2023. doi:10.1101/2023.05.15.540765. PMID 37292624.

[pmid36655882-2] "Synthesis and Stereochemical Determination of the Peptide Antibiotic Novo29". The Journal of Organic Chemistry 88 (4): 2214–2220. February 2023. doi:10.1021/acs.joc.2c02648. PMID 36655882.

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Identifiers

IUPAC name (3S,6S,9S,13R)-12-[[(2S)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-9-methyl-3,6-bis(2-methylpropyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridecane-13-carboxamide
CAS Number	2247194-77-8
PubChem CID	142449498
Chemical and physical data
Formula	C₄₃H₇₀N₁₀O₁₁
Molar mass	903.092 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC(C)C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NC1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O[C@H]1C(N)=O
InChI InChI=1S/C43H70N10O11/c1-22(2)17-29-40(60)51-31(19-24(5)6)43(63)64-34(35(46)55)33(42(62)47-25(7)36(56)49-29)53-41(61)32(21-54)52-38(58)28(15-11-12-16-44)48-39(59)30(18-23(3)4)50-37(57)27(45)20-26-13-9-8-10-14-26/h8-10,13-14,22-25,27-34,54H,11-12,15-21,44-45H2,1-7H3,(H2,46,55)(H,47,62)(H,48,59)(H,49,56)(H,50,57)(H,51,60)(H,52,58)(H,53,61)/t25-,27-,28+,29-,30+,31-,32-,33?,34+/m0/s1 Key:SMQAHGKBWXPEHB-MJGFNNBQSA-N

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