(Q103818496)

English

(6,28-Dihydroxy-16-methoxy-5,7-dimethyl-18,24-dioxo-22-thia-19,25-diazatricyclo[18.7.1.021,26]octacosa-1(27),4,10,12,14,20(28),21(26)-heptaen-8-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)=CCCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3

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found in taxon

Streptomyces

1 reference

stated in

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

Identifiers

InChI

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

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InChIKey

DLJPEMIJOQUTRD-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DLJPEMIJOQUTRD-UHFFFAOYSA-N

(Q103818496)

(6,28-Dihydroxy-16-methoxy-5,7-dimethyl-18,24-dioxo-22-thia-19,25-diazatricyclo[18.7.1.021,26]octacosa-1(27),4,10,12,14,20(28),21(26)-heptaen-8-yl) 1-(cyclohexene-1-carbonylamino)cyclopropane-1-carboxylate

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