(Q104915846)

English

N-[(3R,6R,7R,10S,14R,15S)-15-benzyl-10-[(2R)-butan-2-yl]-14-hydroxy-3,7,13,13-tetramethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadec-6-yl]-3-formamido-2-hydroxybenzamide

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

macrolides

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mass

670.273774784 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₂N₂O₁₂

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canonical SMILES

CCC(C)C1OC(=O)C(C)(C)C(O)C(Cc2ccccc2)OC(=O)C(C)OC(=O)C(NC(=O)c2cccc(NC=O)c2O)C(C)OC1=O

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isomeric SMILES

CC[C@@H](C)[C@@H]1OC(=O)C(C)(C)[C@@H](O)[C@H](Cc2ccccc2)OC(=O)[C@@H](C)OC(=O)[C@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O

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found in taxon

Streptomyces

1 reference

stated in

SW-163A and B, novel immunosuppressants produced by Streptomyces sp.

Identifiers

InChI

InChI=1S/C34H42N2O12/c1-7-18(2)27-32(43)45-19(3)25(36-29(40)22-14-11-15-23(26(22)38)35-17-37)31(42)46-20(4)30(41)47-24(16-21-12-9-8-10-13-21)28(39)34(5,6)33(44)48-27/h8-15,17-20,24-25,27-28,38-39H,7,16H2,1-6H3,(H,35,37)(H,36,40)/t18-,19-,20-,24+,25-,27+,28+/m1/s1

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InChIKey

AOOVQQYJUKCBCN-HYRJLIRPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AOOVQQYJUKCBCN-HYRJLIRPSA-N

(Q104915846)

N-[(3R,6R,7R,10S,14R,15S)-15-benzyl-10-[(2R)-butan-2-yl]-14-hydroxy-3,7,13,13-tetramethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadec-6-yl]-3-formamido-2-hydroxybenzamide

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Identifiers

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