(Q105262138)

English

(3S)-5-bromo-9-thia-11,15,20-triazahexacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0¹⁷,²¹]docosa-1(20),2(12),4,7,14(21),16-hexaene-6,13-dione

group of stereoisomers with the chemical formula C₁₈H₁₂BrN₃O₂S

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Statements

instance of

group of stereoisomers

0 references

1 reference

412.983359724 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₁₂BrN₃O₂S

0 references

canonical SMILES

O=C1C=C2SC3NC=4C(=O)C=5NC=C6C5C(=NCC6)C4C2(C=C1Br)C3

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isomeric SMILES

O=C1C=C2SC3C[C@]2(C=C1Br)C1=C(N3)C(=O)c2[nH]cc3c2C1=NCC3

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found in taxon

Latrunculia basalis

2 references

stated in

Cytotoxic pigments from new zealand sponges of the genus latrunculia : discorhabdins a, b and c

stated in

Discorhabdin R: a new antibacterial pyrroloiminoquinone from two latrunculiid marine sponges, Latrunculia sp. and Negombata sp

Identifiers

InChI

InChI=1S/C18H12BrN3O2S/c19-8-4-18-5-11(25-10(18)3-9(8)23)22-16-13(18)14-12-7(1-2-20-14)6-21-15(12)17(16)24/h3-4,6,11,21-22H,1-2,5H2/t11?,18-/m0/s1

0 references

InChIKey

SVKKMXJIWIOCJC-MCEAHNFKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105262138)

(3S)-5-bromo-9-thia-11,15,20-triazahexacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0¹⁷,²¹]docosa-1(20),2(12),4,7,14(21),16-hexaene-6,13-dione

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Identifiers

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