(Q105372420)

English

ZDMRVXKDMYERTG-SKBYGJNKSA-N

group of stereoisomers with the chemical formula C₄₉H₇₁N₁₃O₂₂

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Statements

group of stereoisomers

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piperidine alkaloids

1 reference

piperidine alkaloids

1,193.483660912 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₉H₇₁N₁₃O₂₂

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canonical SMILES

CC(O)C(NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C1CCn2c3cc(=O)c(O)cc-3cc(NC(=O)CCC(N)C(=O)O)c2N1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1CCCN(O)C1=O)C(C)O)C(C)O)C(O)C(=O)O

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isomeric SMILES

CC(O)C(NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)[C@@H]1CCn2c3cc(=O)c(O)cc-3cc(NC(=O)CCC(N)C(=O)O)c2N1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1CCCN(O)C1=O)C(C)O)C(C)O)C(O)C(=O)O

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1 reference

Structure and characterization of isopyoverdin from Pseudomonas putida BTP1 and its relation to the biogenetic pathway leading to pyoverdins

Pseudomonas putida

1 reference

An isopyoverdin from Pseudomonas putida CFML 90-33

Identifiers

InChI=1S/C49H71N13O22/c1-19(63)34(43(75)55-26-8-6-13-62(84)47(26)79)58-44(76)36(21(3)65)59-46(78)37(38(71)49(82)83)60-45(77)35(20(2)64)57-41(73)24(7-4-5-12-50)54-42(74)28(17-33(69)70)56-40(72)25-11-14-61-29-18-31(67)30(66)16-22(29)15-27(39(61)53-25)52-32(68)10-9-23(51)48(80)81/h15-16,18-21,23-26,28,34-38,53,63-66,71,84H,4-14,17,50-51H2,1-3H3,(H,52,68)(H,54,74)(H,55,75)(H,56,72)(H,57,73)(H,58,76)(H,59,78)(H,60,77)(H,69,70)(H,80,81)(H,82,83)/t19?,20?,21?,23?,24?,25-,26?,28?,34?,35?,36?,37?,38?/m0/s1

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ZDMRVXKDMYERTG-SKBYGJNKSA-N

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