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name Structure Reference Source Properties Activities Metabolism

(1'R,4R,5R,5'S,6'S,14'R,15'S,16'R,18'S)-2,3'-diamino-15'-(aminomethyl)-7',8'-dibromo-16'-chloro-5-hydroxy-1,5-dihydro-2',4',9',12'-tetraazaspiro[imidazole-4,17'-pentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹⁴,¹⁸]octadecane]-3',7',9'-trien-11'-one

AlkaPlorer ID: AK265422

Synonym: None

IUPAC Name: (1'R,4R,5R,5'S,6'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-3,7,9-triene]-11'-one

Structure

SMILES: N=C1N[C@H](O)[C@@]2(N1)[C@H](Cl)[C@H](CN)[C@@H]1CN3C(=O)C4=NC(Br)=C(Br)[C@H]4[C@@H]4NC(=N)N[C@@]43[C@@H]12

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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/h3-5,8-10,13,31H,1-2,21H2,(H3,22,25,28)(H3,23,26,27)/t3-,4+,5-,8+,9-,10+,13-,16+,17-/m1/s1

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InChIKey: ILUMIDOMLAKBGK-NXOIRWDYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Axinella verrucosa Axinella Axinellidae Axinellida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 577.669

TPSA？: 174.73999999999998

MolLogP？: -1.322559999999996

Number of H-Donors: 8

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information