(Q105129111)

English

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

group of stereoisomers with the chemical formula C₃₆H₄₆N₂O₁₂

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Statements

instance of

group of stereoisomers

0 references

1 reference

698.305074912 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₆N₂O₁₂

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canonical SMILES

CCC(C)C1OC(=O)C(C)(C)C(O)C(Cc2ccccc2)OC(=O)C(C(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)C1OC(=O)C(C)(C)[C@H](O)[C@H](Cc2ccccc2)OC(=O)[C@H](C(C)C)OC(=O)C(NC(=O)c2cccc(NC=O)c2O)C(C)OC1=O

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found in taxon

Streptomyces orinoci

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stated in

Rare Streptomyces N-formyl amino-salicylamides inhibit oncogenic K-Ras

Identifiers

InChI

InChI=1S/C36H46N2O12/c1-8-20(4)29-34(45)47-21(5)26(38-31(42)23-15-12-16-24(27(23)40)37-18-39)32(43)49-28(19(2)3)33(44)48-25(17-22-13-10-9-11-14-22)30(41)36(6,7)35(46)50-29/h9-16,18-21,25-26,28-30,40-41H,8,17H2,1-7H3,(H,37,39)(H,38,42)/t20-,21?,25-,26?,28-,29?,30+/m0/s1

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InChIKey

JIJATTFJYJZEBT-VFVHXOKRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JIJATTFJYJZEBT-VFVHXOKRSA-N

1 reference

(Q105129111)

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

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Identifiers

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