(Q105128351)

English

4-(diaminomethylideneamino)butyl (6R,10S)-10-heptyl-6-pentyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxylate

group of stereoisomers with the chemical formula C₂₇H₄₈N₆O₂

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Statements

instance of

group of stereoisomers

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subclass of

triazaacenaphthylene alkaloid

1 reference

inferred from

triazaacenaphthylene alkaloid

mass

488.383874776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₈N₆O₂

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canonical SMILES

O=C(OCCCCNC(=N)N)C1=C2N3C(=NC(CCCCCCC)CC3CC2)NC1CCCCC

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isomeric SMILES

CCCCCCC[C@H]1CC2CCC3=C(C(=O)OCCCCNC(=N)N)[C@@H](CCCCC)NC(=N1)N32

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found in taxon

Batzella

1 reference

stated in

Novel Alkaloids from the Sponge Batzella sp.: Inhibitors of HIV gp120-Human CD4 Binding

Identifiers

InChI

InChI=1S/C27H48N6O2/c1-3-5-7-8-10-13-20-19-21-15-16-23-24(25(34)35-18-12-11-17-30-26(28)29)22(14-9-6-4-2)32-27(31-20)33(21)23/h20-22H,3-19H2,1-2H3,(H,31,32)(H4,28,29,30)/t20-,21?,22+/m0/s1

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InChIKey

JHUNDPSWNACCLC-JAFNVKOHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JHUNDPSWNACCLC-JAFNVKOHSA-N

1 reference

(Q105128351)

4-(diaminomethylideneamino)butyl (6R,10S)-10-heptyl-6-pentyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxylate

Statements

Identifiers

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