(Q105178142)

English

(1'R,4R,5R,5'S,14'R,15'S,16'R,18'S)-2,3'-diamino-15'-(aminomethyl)-7',8'-dibromo-16'-chloro-4-hydroxyspiro[1,4-dihydroimidazole-5,17'-2,4,9,12-tetrazapentacyclo[10.6.0.01,5.06,10.014,18]octadeca-3,6(10),7-triene]-11'-one

chemical compound

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instance of

type of chemical entity

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subclass of

2,3'-Diamino-15'-(aminomethyl)-7',8'-dibromo-16'-chloro-4-hydroxyspiro[1,4-dihydroimidazole-5,17'-2,4,9,12-tetrazapentacyclo[10.6.0.01,5.06,10.014,18]octadeca-3,6(10),7-triene]-11'-one

1 reference

based on heuristic

inferred from SMILES

(4R,5S,5'S,14'R,15'S,16'S,18'S)-15'-(aminomethyl)-7',8'-dibromo-16'-chloro-5-hydroxy-2,3'-diimino-2',4',9',12'-tetraazaspiro[imidazolidine-4,17'-pentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹⁴,¹⁸]octadecane]-6'(10'),7'-dien-11'-one

1 reference

based on heuristic

inferred from SMILES

mass

574.97952276 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Dibromostyloguanidine

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1'R,4S,5R,5'S,14'R,15'S,16'S,18'S)-2,3'-diamino-15'-(aminomethyl)-7',8'-dibromo-16'-chloro-4-hydroxyspiro[1,4-dihydroimidazole-5,17'-2,4,9,12-tetrazapentacyclo[10.6.0.01,5.06,10.014,18]octadeca-3,6(10),7-triene]-11'-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₀Br₂ClN₉O₂

0 references

canonical SMILES

O=C1C=2NC(Br)=C(Br)C2C3NC(=N)NC43N1CC5C(CN)C(Cl)C6(NC(=N)NC6O)C54

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isomeric SMILES

N=C1N[C@H](O)[C@]2(N1)[C@@H]1[C@@H](CN3C(=O)c4[nH]c(Br)c(Br)c4[C@@H]4NC(=N)N[C@]413)[C@@H](CN)[C@H]2Cl

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found in taxon

Stylissa massa

1 reference

stated in

Palau'amine and Its Congeners: A Family of Bioactive Bisguanidines from the Marine SpongeStylotella aurantium1

Identifiers

InChI

InChI=1S/C17H20Br2ClN9O2/c18-6-5-7(24-11(6)19)12(30)29-2-4-3(1-21)9(20)16(13(31)26-15(23)27-16)8(4)17(29)10(5)25-14(22)28-17/h3-4,8-10,13,24,31H,1-2,21H2,(H3,22,25,28)(H3,23,26,27)/t3-,4+,8+,9-,10+,13-,16+,17-/m1/s1

0 references

InChIKey

NESAUEBZIXIZGX-OSCJLXTASA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NESAUEBZIXIZGX-OSCJLXTASA-N

1 reference

(Q105178142)

(1'R,4R,5R,5'S,14'R,15'S,16'R,18'S)-2,3'-diamino-15'-(aminomethyl)-7',8'-dibromo-16'-chloro-4-hydroxyspiro[1,4-dihydroimidazole-5,17'-2,4,9,12-tetrazapentacyclo[10.6.0.01,5.06,10.014,18]octadeca-3,6(10),7-triene]-11'-one

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Identifiers

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