(Q82891328)

English

5-({1-[(Carboxymethyl)imino]-3-[(3,6-dihydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-10-yl)sulfanyl]-1-hydroxypropan-2-yl}imino)-5-hydroxynorvaline

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

590.204649668 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄N₄O₉S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5SCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C27H34N4O9S/c1-31-9-8-27-13-3-6-17(33)24(27)40-22-16(32)5-2-12(20(22)27)23(21(13)31)41-11-15(25(37)29-10-19(35)36)30-18(34)7-4-14(28)26(38)39/h2-3,5-6,13-15,17,21,23-24,32-33H,4,7-11,28H2,1H3,(H,29,37)(H,30,34)(H,35,36)(H,38,39)/t13-,14?,15?,17-,21-,23?,24-,27-/m0/s1

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InChIKey

AJFKORMGLWPZQJ-VILDZANUSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID601347902

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(Q82891328)

5-({1-[(Carboxymethyl)imino]-3-[(3,6-dihydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-10-yl)sulfanyl]-1-hydroxypropan-2-yl}imino)-5-hydroxynorvaline

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Identifiers

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