(Q105186397)

English

[(6E,8E,10E,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] 2-(cyclohexene-1-carbonylamino)propanoate

group of stereoisomers with the chemical formula C₃₈H₄₉N₃O₈S

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instance of

group of stereoisomers

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1 reference

707.324036528 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₉N₃O₈S

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canonical SMILES

COC1C=CC=CC=CCC(OC(=O)C(C)NC(=O)C2=CCCCC2)C(C)C(O)C(C)=CCCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1

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isomeric SMILES

COC1/C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)C2=CCCCC2)C(C)C(O)/C(C)=C\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1

1 reference

1 reference

Thiazinotrienomycins, new ansamycin group antibiotics

Identifiers

InChI

InChI=1S/C38H49N3O8S/c1-23-14-13-18-28-35(45)29(21-30-36(28)50-22-33(43)41-30)40-32(42)20-27(48-4)17-11-6-5-7-12-19-31(24(2)34(23)44)49-38(47)25(3)39-37(46)26-15-9-8-10-16-26/h5-7,11-12,14-15,17,21,24-25,27,31,34,44-45H,8-10,13,16,18-20,22H2,1-4H3,(H,39,46)(H,40,42)(H,41,43)/b6-5+,12-7+,17-11+,23-14-

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InChIKey

NVTIRGZIENXFCP-MHVOAVBDSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

NVTIRGZIENXFCP-MHVOAVBDSA-N

1 reference

(Q105186397)

[(6E,8E,10E,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] 2-(cyclohexene-1-carbonylamino)propanoate

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Identifiers

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