(Q104394357)

English

[(8E,10E,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] 2-(cyclohexanecarbonylamino)propanoate

group of stereoisomers with the chemical formula C₃₆H₅₀N₂O₇

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Statements

instance of

group of stereoisomers

0 references

1 reference

622.36180194 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₀N₂O₇

0 references

canonical SMILES

COC1C=CC=CC=CCC(OC(=O)C(C)NC(=O)C2CCCCC2)C(C)C(O)C(C)=CCCc2cc(O)cc(c2)NC(=O)C1

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isomeric SMILES

COC1C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)C2CCCCC2)C(C)C(O)/C(C)=C\CCc2cc(O)cc(c2)NC(=O)C1

1 reference

3 references

Structural studies on minor components of trienomycin group antibiotics trienomycins D and E

stated in

Structures of trienomycins A, B and C, novel cytocidal ansamycin antibiotics

stated in

Studies on a novel cytocidal antibiotic, trienomycin A. Taxonomy, fermentation, isolation, and physico-chemical and biological characteristics.

Identifiers

InChI

InChI=1S/C36H50N2O7/c1-24-14-13-15-27-20-29(22-30(39)21-27)38-33(40)23-31(44-4)18-11-6-5-7-12-19-32(25(2)34(24)41)45-36(43)26(3)37-35(42)28-16-9-8-10-17-28/h5-7,11-12,14,18,20-22,25-26,28,31-32,34,39,41H,8-10,13,15-17,19,23H2,1-4H3,(H,37,42)(H,38,40)/b6-5+,12-7+,18-11?,24-14-

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InChIKey

WACCDLYIHBADOZ-XYZOLWCQSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

WACCDLYIHBADOZ-XYZOLWCQSA-N

ChEBI ID

227454

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C36H50N2O7/c1-24-14-13-15-27-20-29(22-30(39)21-27)38-33(40)23-31(44-4)18-11-6-5-7-12-19-32(25(2)34(24)41)45-36(43)26(3)37-35(42)28-16-9-8-10-17-28/h5-7,11-12,14,18,20-22,25-26,28,31-32,34,39,41H,8-10,13,15-17,19,23H2,1-4H3,(H,37,42)(H,38,40)/b6-5+,12-7+,18-11?,24-14-

1 reference

Natural Product Atlas ID

NPA017538

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WACCDLYIHBADOZ-XYZOLWCQSA-N

(Q104394357)

[(8E,10E,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] 2-(cyclohexanecarbonylamino)propanoate

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