(Q27134667)

Kitastatin 1 (English)

3-amino-N-[(2R,5R,8S,13S,16R,17S)-5-[(2R)-butan-2-yl]-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,6,9,11,14,18-hexaoxo-1,4,12,15-tetraoxa-7-azacyclooctadec-17-yl]-2-hydroxybenzamide

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₅₃N₃O₁₂

1 reference

Kitastatin 1 (English)

7 October 2016

canonical SMILES

CCC(C)C1C(=O)NC(C(=O)C(C(=O)OC(C(=O)OC(C(C(=O)OC(C(=O)O1)C)NC(=O)C2=C(C(=CC=C2)N)O)C)CC(C)C)(C)C)CC(C)C

1 reference

Kitastatin 1 (English)

7 October 2016

isomeric SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)C(C(=O)O[C@H](C(=O)O[C@@H]([C@@H](C(=O)O[C@H](C(=O)O1)C)NC(=O)C2=C(C(=CC=C2)N)O)C)CC(C)C)(C)C)CC(C)C

1 reference

Antineoplastic agents. 560. Isolation and structure of kitastatin 1 from an Alaskan Kitasatospora sp.

Kitastatin 1 (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C36H53N3O12/c1-11-19(6)28-31(43)38-24(15-17(2)3)29(41)36(9,10)35(47)50-25(16-18(4)5)33(45)48-20(7)26(34(46)49-21(8)32(44)51-28)39-30(42)22-13-12-14-23(37)27(22)40/h12-14,17-21,24-26,28,40H,11,15-16,37H2,1-10H3,(H,38,43)(H,39,42)/t19-,20+,21-,24-,25-,26-,28-/m0/s1

1 reference

Kitastatin 1 (English)

NHGPGFIEZTYBBN-FBIIVLIJSA-N

7 October 2016

InChIKey

2 references

Kitastatin 1 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Kitastatin (English)

7 October 2016

2 references

Kitastatin 1 (English)

matched by identifier from

7 October 2016

InChIKey

NHGPGFIEZTYBBN-FBIIVLIJSA-N

Reaxys registry number

11184598

1 reference

kitastatin 1 (English)

7 October 2016

ChEBI ID

66146

mapping relation type

2 references

kitastatin 1 (English)