(Q105287268)

English

VJHYCAISIFXZOR-XODNFHPESA-N

group of stereoisomers with the chemical formula C₅₁H₅₂N₁₄O₁₆S

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Statements

group of stereoisomers

0 references

oxazole alkaloid

1 reference

oxazole alkaloid

biogenic cyclopeptide

1 reference

biogenic cyclopeptide

1,148.340642584 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₁H₅₂N₁₄O₁₆S

0 references

canonical SMILES

C=C1NC(=O)c2nc(oc2C)C(=C)NC(=O)C(C(C)(C)O)NC(=O)C(=C)NC(=O)C(=C)NC(=O)c2nc(oc2C)C(=CC)NC(=O)C(C(C)O)NC(=O)C(=C)NC(=O)C2C=CC3=C4SC=C(C(=O)O)N4C=C(NC(=O)C(=C)NC1=O)C3=N2

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isomeric SMILES

C=C1NC(=O)c2nc(oc2C)C(=C)NC(=O)C(C(C)(C)O)NC(=O)C(=C)NC(=O)C(=C)NC(=O)c2nc(oc2C)/C(=C\C)NC(=O)C(C(C)O)NC(=O)C(=C)NC(=O)C2C=CC3=C4SC=C(C(=O)O)N4C=C(NC(=O)C(=C)NC1=O)C3=N2

1 reference

based on heuristic

inferred from InChI

Streptomyces bernensis

2 references

Berninamycin biosynthesis. 1. Origin of the dehydroalanine residues

Berninamycins B, C, and D, minor metabolites from Streptomyces bernensis

Identifiers

InChI=1S/C51H52N14O16S/c1-13-28-48-63-34(26(10)81-48)45(75)56-19(3)38(68)53-22(6)41(71)64-36(51(11,12)79)46(76)57-23(7)47-62-33(25(9)80-47)44(74)55-18(2)37(67)52-20(4)39(69)60-30-16-65-31(50(77)78)17-82-49(65)27-14-15-29(58-35(27)30)42(72)54-21(5)40(70)61-32(24(8)66)43(73)59-28/h13-17,24,29,32,36,66,79H,2-7H2,1,8-12H3,(H,52,67)(H,53,68)(H,54,72)(H,55,74)(H,56,75)(H,57,76)(H,59,73)(H,60,69)(H,61,70)(H,64,71)(H,77,78)/b28-13+

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VJHYCAISIFXZOR-XODNFHPESA-N

0 references

2 references

15 September 2022

matched by identifier from

VJHYCAISIFXZOR-XODNFHPESA-N

UniChem compound ID

1 reference

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