Azinomycin B (Q20164387)

(1S)-2-{[(1E)-1-[(3R,4R,5S)-3-Acetoxy-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-{[(1Z)-1-hydroxy-3-oxo-1-buten-2-yl]amino}-2-oxoethyl]amino}-1-[(2S)-2-methyl-2-oxiranyl]-2-oxoethyl 3-methoxy-5-met (English)

retrieved

6 October 2016

chemical formula

C₃₁H₃₃N₃O₁₁

0 references

canonical SMILES

CC=1C=CC=C2C1C=C(C=C2C(=O)OC(C(=NC(=C3C(C(C4(CN43)[H])(O)[H])(OC(C)=O)[H])C(=NC(=C(O)[H])C(C)=O)O)O)(C5(C)CO5)[H])OC

1 reference

language of work or name

English

title

azinomycin B (English)

retrieved

6 October 2016

isomeric SMILES

CC=1C=CC=C2C1C=C(C=C2C(=O)O[C@](C(=N\C(=C\3/[C@]([C@@]([C@@]4(C[N@@]43)[H])(O)[H])(OC(C)=O)[H])\C(=N\C(=C(/O)\[H])\C(C)=O)O)O)([C@]5(C)CO5)[H])OC

1 reference

language of work or name

English

title

azinomycin B (English)

retrieved

6 October 2016

Identifiers

InChI

InChI=1S/C31H33N3O11/c1-14-7-6-8-18-19(14)9-17(42-5)10-20(18)30(41)45-27(31(4)13-43-31)29(40)33-23(28(39)32-21(12-35)15(2)36)24-26(44-16(3)37)25(38)22-11-34(22)24/h6-10,12,22,25-27,35,38H,11,13H2,1-5H3,(H,32,39)(H,33,40)/b21-12-,24-23+/t22-,25+,26+,27+,31-,34-/m0/s1

1 reference

language of work or name

English

title

azinomycin B (English)

retrieved

6 October 2016

InChIKey

QIKVYJOCQXXRSJ-BHUJXPEISA-N

2 references

language of work or name

English

title

azinomycin B (English)

retrieved

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

language of work or name

English

title

(1S)-2-{[(1E)-1-[(3R,4R,5S)-3-Acetoxy-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-{[(1Z)-1-hydroxy-3-oxo-1-buten-2-yl]amino}-2-oxoethyl]amino}-1-[(2S)-2-methyl-2-oxiranyl]-2-oxoethyl 3-methoxy-5-met (English)

retrieved

6 October 2016

Reaxys registry number

9537192

1 reference

language of work or name

English

title