(Q105352389)

English

(1'R,4R,5R,5'S,14'R,15'S,16'R,18'S)-2,3'-diamino-15'-(aminomethyl)-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

15'-(aminomethyl)-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

419.158498624 dalton

1 reference

1 reference

(1'R,4S,5R,5'S,14'S,15'S,16'S,18'S)-2,3'-diamino-15'-(aminomethyl)-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

C₁₇H₂₂ClN₉O₂

0 references

canonical SMILES

O=C1C=2NC=CC2C3NC(=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]ccc4[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/C17H22ClN9O2/c18-10-6(3-19)7-4-27-12(28)8-5(1-2-22-8)11-17(27,26-14(20)23-11)9(7)16(10)13(29)24-15(21)25-16/h1-2,6-7,9-11,13,22,29H,3-4,19H2,(H3,20,23,26)(H3,21,24,25)/t6-,7+,9+,10-,11+,13-,16+,17-/m1/s1

0 references

InChIKey

YQOJFYVIAPVKMS-RPYTWITJSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

17 September 2022

inferred from InChIKey

(Q105352389)

(1'R,4R,5R,5'S,14'R,15'S,16'R,18'S)-2,3'-diamino-15'-(aminomethyl)-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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