(Q105009133)

English

[(5R,6E,8E,10E,13S,14S,15R,16E)-15-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(4-methylpentanoylamino)propanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

polyene macrolide

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mass

624.341066496 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₈N₂O₈

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canonical SMILES

COC1C=CC=CC=CCC(OC(=O)C(C)NC(=O)CCC(C)C)C(C)C(O)C(C)=CCCC2=CC(=O)C=C(NC(=O)C1)C2=O

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isomeric SMILES

CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)CCC(C)C)[C@@H](C)[C@@H](O)/C(C)=C/CCC2=CC(=O)C=C(NC(=O)C1)C2=O

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found in taxon

Streptomyces seoulensis

1 reference

stated in

New ansamycin analogues from the mutant strain of Streptomyces seoulensis

Identifiers

InChI

InChI=1S/C35H48N2O8/c1-22(2)17-18-31(39)36-25(5)35(43)45-30-16-11-9-7-8-10-15-28(44-6)21-32(40)37-29-20-27(38)19-26(34(29)42)14-12-13-23(3)33(41)24(30)4/h7-11,13,15,19-20,22,24-25,28,30,33,41H,12,14,16-18,21H2,1-6H3,(H,36,39)(H,37,40)/b8-7+,11-9+,15-10+,23-13+/t24-,25-,28+,30+,33+/m1/s1

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InChIKey

GIOYWSPCNLCBQG-KUHNKQNDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GIOYWSPCNLCBQG-KUHNKQNDSA-N

(Q105009133)

[(5R,6E,8E,10E,13S,14S,15R,16E)-15-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(4-methylpentanoylamino)propanoate

Statements

Identifiers

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