(Q105145878)

English

KTNGYEFOWPNDPW-NYRDTPILSA-N

group of stereoisomers with the chemical formula C₅₇H₈₂N₁₂O₁₆

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Statements

group of stereoisomers

0 references

biogenic cyclopeptide

1 reference

biogenic cyclopeptide

1,190.597174544 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₇H₈₂N₁₂O₁₆

0 references

canonical SMILES

CC=C1NC(=O)C(C(O)C(C)C)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(NC(=O)C(N)C(C)CC)C(C(C)C)OC(=O)C(Cc2ccccc2)NC(=O)C(CCCN)NC(O)=C(C(=O)c2c[nH]c3ccccc23)NC(=O)C(CO)NC1=O

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isomeric SMILES

C/C=C1\NC(=O)C(C(O)C(C)C)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(NC(=O)C(N)C(C)CC)C(C(C)C)OC(=O)C(Cc2ccccc2)NC(=O)C(CCCN)N/C(O)=C(/C(=O)c2c[nH]c3ccccc23)NC(=O)C(CO)NC1=O

1 reference

based on heuristic

inferred from InChI

Janthinobacterium lividum

4 references

Janthinocins A, B and C, novel peptide lactone antibiotics produced by Janthinobacterium lividum. II. Structure elucidation

Janthinocins A, B and C, novel peptide lactone antibiotics produced by Janthinobacterium lividum. II. Structure elucidation

Janthinocins A, B and C, novel peptide lactone antibiotics produced by Janthinobacterium lividum. I. Taxonomy, fermentation, isolation, physico-chemical and biological characterization.

Janthinocins A, B and C, novel peptide lactone antibiotics produced by Janthinobacterium lividum. II. Structure elucidation

Identifiers

InChI=1S/C57H82N12O16/c1-9-29(7)40(59)52(79)69-44-47(28(5)6)85-57(84)37(23-31-17-12-11-13-18-31)63-49(76)36(21-16-22-58)62-55(82)43(46(74)33-24-60-35-20-15-14-19-32(33)35)68-50(77)38(25-70)64-48(75)34(10-2)61-54(81)42(45(73)27(3)4)67-51(78)39(26-71)65-53(80)41(30(8)72)66-56(44)83/h10-15,17-20,24,27-30,36-42,44-45,47,60,62,70-73,82H,9,16,21-23,25-26,58-59H2,1-8H3,(H,61,81)(H,63,76)(H,64,75)(H,65,80)(H,66,83)(H,67,78)(H,68,77)(H,69,79)/b34-10-,55-43+

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KTNGYEFOWPNDPW-NYRDTPILSA-N

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1 reference

15 September 2022

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