(Q105242494)

English

(8S,14S)-3,18-dihydroxy-14-[[2-[[(2R)-2-[[(2R)-3-hydroxy-2-[methyl(10-methylundecanoyl)amino]propanoyl]amino]propanoyl]amino]acetyl]-methylamino]-13-oxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

796.43709212 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₆₀N₆O₁₀

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canonical SMILES

CC(C)CCCCCCCCC(=O)N(C)C(CO)C(=O)NC(C)C(=O)NCC(=O)N(C)C1C(=O)NCCNC(C(=O)O)Cc2ccc(O)c(c2)-c2cc1ccc2O

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isomeric SMILES

CC(C)CCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)[C@@H]1C(=O)NCCN[C@H](C(=O)O)Cc2ccc(O)c(c2)-c2cc1ccc2O

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found in taxon

Streptomyces filamentosus

1 reference

stated in

MS/MS-based networking and peptidogenomics guided genome mining revealed the stenothricin gene cluster in Streptomyces roseosporus

Identifiers

InChI

InChI=1S/C41H60N6O10/c1-25(2)12-10-8-6-7-9-11-13-35(51)46(4)32(24-48)39(54)45-26(3)38(53)44-23-36(52)47(5)37-28-15-17-34(50)30(22-28)29-20-27(14-16-33(29)49)21-31(41(56)57)42-18-19-43-40(37)55/h14-17,20,22,25-26,31-32,37,42,48-50H,6-13,18-19,21,23-24H2,1-5H3,(H,43,55)(H,44,53)(H,45,54)(H,56,57)/t26-,31+,32-,37+/m1/s1

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InChIKey

ROVOPUDSNMRCEN-PWSFCJRZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ROVOPUDSNMRCEN-PWSFCJRZSA-N

(Q105242494)

(8S,14S)-3,18-dihydroxy-14-[[2-[[(2R)-2-[[(2R)-3-hydroxy-2-[methyl(10-methylundecanoyl)amino]propanoyl]amino]propanoyl]amino]acetyl]-methylamino]-13-oxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid

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