(Q27133878)

Arenamide A (English)

(3S,6S,9R,12S,19S)-3-benzyl-6-methyl-9-(2-methylpropyl)-19-[(2S)-octan-2-yl]-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone

7 October 2016

stereoisomer of

2 references

inferred from InChIKey

(3S,6S,9R,12S,19S)-3-benzyl-6-methyl-9-(2-methylpropyl)-19-[(2R)-octan-2-yl]-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₃₆H₅₇N₅O₇

1 reference

Arenamide A (English)

7 October 2016

canonical SMILES

CCCCCCC(C)C1CC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)CC2=CC=CC=C2)C)CC(C)C)C(C)C

1 reference

Arenamide A (English)

7 October 2016

isomeric SMILES

CCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)CC2=CC=CC=C2)C)CC(C)C)C(C)C

1 reference

Arenamide A (English)

Arenamides A-C, cytotoxic NFkappaB inhibitors from the marine actinomycete Salinispora arenicola

7 October 2016

found in taxon

Salinispora arenicola

2 references

stated in

stated in

Arenamides A−C, Cytotoxic NFκB Inhibitors from the Marine Actinomycete Salinispora arenicola

Identifiers

InChI

InChI=1S/C36H57N5O7/c1-8-9-10-12-15-24(6)29-20-30(42)37-21-31(43)41-32(23(4)5)35(46)39-27(18-22(2)3)34(45)38-25(7)33(44)40-28(36(47)48-29)19-26-16-13-11-14-17-26/h11,13-14,16-17,22-25,27-29,32H,8-10,12,15,18-21H2,1-7H3,(H,37,42)(H,38,45)(H,39,46)(H,40,44)(H,41,43)/t24-,25-,27-,28-,29-,32-/m0/s1

1 reference

Arenamide A (English)

HQEBGENSMXBRMP-GZMZQGJJSA-N

7 October 2016

InChIKey

2 references

Arenamide A (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

arenamide A (English)

7 October 2016

2 references

Arenamide A (English)

matched by identifier from

7 October 2016

InChIKey

HQEBGENSMXBRMP-GZMZQGJJSA-N

Reaxys registry number

19756158

1 reference

arenamide A (English)

7 October 2016

ChEBI ID

65433

mapping relation type

2 references

arenamide A (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C36H57N5O7/c1-8-9-10-12-15-24(6)29-20-30(42)37-21-31(43)41-32(23(4)5)35(46)39-27(18-22(2)3)34(45)38-25(7)33(44)40-28(36(47)48-29)19-26-16-13-11-14-17-26/h11,13-14,16-17,22-25,27-29,32H,8-10,12,15,18-21H2,1-7H3,(H,37,42)(H,38,45)(H,39,46)(H,40,44)(H,41,43)/t24-,25-,27-,28-,29-,32-/m0/s1

1 reference

ARENAMIDE A (English)

7 October 2016

1 reference

Natural Product Atlas ID

NPA001389

2 references