(Q105348912)

English

[(8Z,10Z,16Z)-15,28-dihydroxy-5-methoxy-14,16-dimethyl-3,24-dioxo-22-thia-2,25-diazatricyclo[18.7.1.021,26]octacosa-1(27),6,8,10,16,20(28),21(26)-heptaen-13-yl] 1-(cyclohexene-1-carbonylamino)cyclopropane-1-carboxylate

group of stereoisomers with the chemical formula C₃₉H₄₉N₃O₈S

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Statements

instance of

group of stereoisomers

0 references

1 reference

719.324036528 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₄₉N₃O₈S

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canonical SMILES

COC1C=CC=CC=CCC(OC(=O)C2(NC(=O)C3=CCCCC3)CC2)C(C)C(O)C(C)=CCCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1

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isomeric SMILES

COC1C=C/C=C\C=C/CC(OC(=O)C2(NC(=O)C3=CCCCC3)CC2)C(C)C(O)/C(C)=C\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1

1 reference

1 reference

TMC-135A and B, new triene-ansamycins, produced by Streptomyces sp

Identifiers

InChI

InChI=1S/C39H49N3O8S/c1-24-13-12-17-28-35(46)29(22-30-36(28)51-23-33(44)41-30)40-32(43)21-27(49-3)16-10-5-4-6-11-18-31(25(2)34(24)45)50-38(48)39(19-20-39)42-37(47)26-14-8-7-9-15-26/h4-6,10-11,13-14,16,22,25,27,31,34,45-46H,7-9,12,15,17-21,23H2,1-3H3,(H,40,43)(H,41,44)(H,42,47)/b5-4-,11-6-,16-10?,24-13-

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InChIKey

YIMYDHUFVYSTEY-VCNTWYPCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YIMYDHUFVYSTEY-VCNTWYPCSA-N

1 reference

Natural Product Atlas ID

NPA010460

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

YIMYDHUFVYSTEY-VCNTWYPCSA-N

(Q105348912)

[(8Z,10Z,16Z)-15,28-dihydroxy-5-methoxy-14,16-dimethyl-3,24-dioxo-22-thia-2,25-diazatricyclo[18.7.1.021,26]octacosa-1(27),6,8,10,16,20(28),21(26)-heptaen-13-yl] 1-(cyclohexene-1-carbonylamino)cyclopropane-1-carboxylate

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