(Q76755354)

English

(1R,4R,6S,7Z,15R,17R)-17-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

646.282506064 dalton

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based on heuristic

inferred from isomeric SMILES

stereoisomer of

Cyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxylic acid, 2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydro-2-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-methyl-4,14-dioxo-, (2R,3aR,10Z,11aS,12aR,14

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based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₂N₄O₆S

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canonical SMILES

COc1ccc2c(OC3CC4C(=O)NC5(C(=O)O)CC5C=CCCCCN(C)C(=O)C4C3)cc(-c3nc(C(C)C)cs3)nc2c1C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@]5(NC4=O)C(=O)O)C)C6=NC(=CS6)C(C)C)OC

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Identifiers

InChI

InChI=1S/C35H42N4O6S/c1-19(2)27-18-46-32(37-27)26-16-29(23-11-12-28(44-5)20(3)30(23)36-26)45-22-14-24-25(15-22)33(41)39(4)13-9-7-6-8-10-21-17-35(21,34(42)43)38-31(24)40/h8,10-12,16,18-19,21-22,24-25H,6-7,9,13-15,17H2,1-5H3,(H,38,40)(H,42,43)/b10-8-/t21-,22-,24-,25-,35-/m1/s1

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InChIKey

XQOBFRSIHBMNMC-PLGQPLIWSA-N

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CAS Registry Number

923604-58-4

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stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

66810346

1 reference

matched by identifier from

InChIKey

XQOBFRSIHBMNMC-PLGQPLIWSA-N

1 reference

1 reference

matched by identifier from

InChIKey

XQOBFRSIHBMNMC-PLGQPLIWSA-N

(Q76755354)

(1R,4R,6S,7Z,15R,17R)-17-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid

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