(Q105275285)

English

(2S,3S)-2-(dimethylamino)-3-methyl-N-[(3R,4S,7S,10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

N-[5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-methylpentanimidic acid

1 reference

based on heuristic

inferred from SMILES

mass

500.336255888 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3S)-2-(dimethylamino)-3-methyl-N-[(3S,4R,7R,10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide

1 reference

based on heuristic

inferred from InChIKey

(2S,3S)-2-(dimethylamino)-3-methyl-N-[(3R,4S,7S,10E)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₄N₄O₄

0 references

canonical SMILES

CCC(C)C(C(=O)NC1C(=O)NC(CC(C)C)C(=O)NC=Cc2ccc(cc2)OC1C(C)C)N(C)C

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isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1C(C)C)N(C)C

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found in taxon

Discaria americana

1 reference

stated in

Cyclic peptide alkaloids from the bark of Discaria americana

Identifiers

InChI

InChI=1S/C28H44N4O4/c1-9-19(6)24(32(7)8)28(35)31-23-25(18(4)5)36-21-12-10-20(11-13-21)14-15-29-26(33)22(16-17(2)3)30-27(23)34/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,33)(H,30,34)(H,31,35)/b15-14-/t19-,22-,23-,24-,25+/m0/s1

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InChIKey

ULQXKOIGVXLOOC-TYCDZCMWSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

ULQXKOIGVXLOOC-TYCDZCMWSA-N

1 reference

(Q105275285)

(2S,3S)-2-(dimethylamino)-3-methyl-N-[(3R,4S,7S,10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide

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