(Q105299114)

English

(1S,3R)-1beta-(Aminomethyl)-2beta-chloro-2'-imino-3bbeta,4beta-(guanidine-1,3-diyl)-5'beta-hydroxy-1,2,3aalpha,3b,4,4a,9,9aalpha-octahydro-8H-4a,8a-diazaspiro[3H-cyclopenta[a]-s-indacene-3,4'-imidazolidine]-8-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

419.158498624 dalton

1 reference

1 reference

C₁₇H₂₂ClN₉O₂

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canonical SMILES

O=C1C2=CC=CN2C3NC(=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)c4cccn4[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(4-19)7-5-27-11(28)8-2-1-3-26(8)12-17(27,25-14(20)22-12)9(7)16(10)13(29)23-15(21)24-16/h1-3,6-7,9-10,12-13,29H,4-5,19H2,(H3,20,22,25)(H3,21,23,24)/t6-,7+,9+,10-,12+,13-,16+,17-/m1/s1

0 references

InChIKey

VYOQBYCIIJYKJA-HQYRTZSVSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

17 September 2022

inferred from InChIKey

(Q105299114)

(1S,3R)-1beta-(Aminomethyl)-2beta-chloro-2'-imino-3bbeta,4beta-(guanidine-1,3-diyl)-5'beta-hydroxy-1,2,3aalpha,3b,4,4a,9,9aalpha-octahydro-8H-4a,8a-diazaspiro[3H-cyclopenta[a]-s-indacene-3,4'-imidazolidine]-8-one

Statements

Identifiers

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