(Q105270287)

English

Leepeptin

group of stereoisomers with the chemical formula C₁₁₀H₁₄₃N₂₇O₃₁

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Statements

group of stereoisomers

0 references

biogenic cyclopeptide

1 reference

biogenic cyclopeptide

2,338.044330796 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₁₀H₁₄₃N₂₇O₃₁

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canonical SMILES

CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C1CCC(=O)NC(CC(C)C)C(=O)NC(Cc2ccc(O)cc2)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)N1)C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)O)C(C)O

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isomeric SMILES

CC[C@H](C)C(NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)O)[C@@H](C)O

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Streptomyces leeuwenhoekii

1 reference

Heterologous Expression of a Cryptic Gene Cluster from Streptomyces leeuwenhoekii C34T Yields a Novel Lasso Peptide, Leepeptin

Identifiers

InChI=1S/C110H143N27O31/c1-8-55(6)91(136-96(154)71(33-35-87(145)146)122-95(153)70-32-34-85(143)121-72(37-53(2)3)97(155)125-73(39-58-24-28-63(139)29-25-58)93(151)119-51-86(144)135-90(54(4)5)107(165)124-69(23-16-36-116-110(113)114)94(152)131-79(44-83(111)141)102(160)133-81(46-88(147)148)104(162)123-70)108(166)134-80(45-84(112)142)103(161)128-76(41-60-48-117-67-21-14-12-19-65(60)67)100(158)130-78(43-62-50-115-52-120-62)101(159)126-74(38-57-17-10-9-11-18-57)99(157)132-82(47-89(149)150)105(163)127-75(40-59-26-30-64(140)31-27-59)98(156)129-77(106(164)137-92(56(7)138)109(167)168)42-61-49-118-68-22-15-13-20-66(61)68/h9-15,17-22,24-31,48-50,52-56,69-82,90-92,117-118,138-140H,8,16,23,32-47,51H2,1-7H3,(H2,111,141)(H2,112,142)(H,115,120)(H,119,151)(H,121,143)(H,122,153)(H,123,162)(H,124,165)(H,125,155)(H,126,159)(H,127,163)(H,128,161)(H,129,156)(H,130,158)(H,131,152)(H,132,157)(H,133,160)(H,134,166)(H,135,144)(H,136,154)(H,137,164)(H,145,146)(H,147,148)(H,149,150)(H,167,168)(H4,113,114,116)/t55-,56+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,90-,91?,92?/m0/s1

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UDBDQVQDKZANRU-GYZZVETDSA-N

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1 reference

15 September 2022

1 reference

15 September 2022

UniChem compound ID

1 reference

Natural Product Atlas ID

1 reference

based on heuristic

inferred from InChIKey

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