(Q27134518)

Hirsutellide A (English)

7 October 2016

chemical formula

C₃₆H₄₈N₄O₈

1 reference

Hirsutellide A (English)

7 October 2016

canonical SMILES

CCC(C)C1C(=O)N(CC(=O)OC(C(=O)NC(C(=O)N(CC(=O)OC(C(=O)N1)CC2=CC=CC=C2)C)C(C)CC)CC3=CC=CC=C3)C

1 reference

Hirsutellide A (English)

7 October 2016

isomeric SMILES

CC[C@@H](C)[C@H]1C(=O)N(CC(=O)O[C@@H](C(=O)N[C@H](C(=O)N(CC(=O)O[C@@H](C(=O)N1)CC2=CC=CC=C2)C)[C@H](C)CC)CC3=CC=CC=C3)C

1 reference

Hirsutellide A, a new antimycobacterial cyclohexadepsipeptide from the entomopathogenic fungus Hirsutella kobayasii.

Hirsutellide A (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C36H48N4O8/c1-7-23(3)31-35(45)39(5)21-29(41)48-28(20-26-17-13-10-14-18-26)34(44)38-32(24(4)8-2)36(46)40(6)22-30(42)47-27(33(43)37-31)19-25-15-11-9-12-16-25/h9-18,23-24,27-28,31-32H,7-8,19-22H2,1-6H3,(H,37,43)(H,38,44)/t23-,24-,27-,28-,31+,32+/m1/s1

1 reference

Hirsutellide A (English)

7 October 2016

2 references

Hirsutellide A (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

hirsutellide A (English)

7 October 2016

2 references

Hirsutellide A (English)

7 October 2016

Reaxys registry number

9309812

1 reference

hirsutellide A (English)

7 October 2016

ChEBI ID

66016

mapping relation type

2 references

hirsutellide A (English)

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C36H48N4O8/c1-7-23(3)31-35(45)39(5)21-29(41)48-28(20-26-17-13-10-14-18-26)34(44)38-32(24(4)8-2)36(46)40(6)22-30(42)47-27(33(43)37-31)19-25-15-11-9-12-16-25/h9-18,23-24,27-28,31-32H,7-8,19-22H2,1-6H3,(H,37,43)(H,38,44)/t23-,24-,27-,28-,31+,32+/m1/s1

1 reference

HIRSUTELLIDE A (English)

7 October 2016

1 reference

NMRShiftDB structure ID

7355

1 reference

Natural Product Atlas ID

NPA018439

2 references

based on heuristic

inferred from InChIKey