Tubulysin B (Q27149182)

Tubulysin B (English)

8 October 2016

chemical formula

C₄₂H₆₃N₅O₁₀S

1 reference

Tubulysin B (English)

8 October 2016

canonical SMILES

CCCC(=O)OCN(C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=C(C=C2)O)CC(C)C(=O)O)OC(=O)C)C(C)C)C(=O)C(C(C)CC)NC(=O)C3CCCCN3C

1 reference

Tubulysin B (English)

8 October 2016

isomeric SMILES

CCCC(=O)OCN([C@H](C[C@H](C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]3CCCCN3C

1 reference

Tubulysins, new cytostatic peptides from myxobacteria acting on microtubuli. Production, isolation, physico-chemical and biological properties

Tubulysin B (English)

8 October 2016

1 reference

Identifiers

InChI

InChI=1S/C42H63N5O10S/c1-9-13-36(50)56-24-47(41(53)37(26(5)10-2)45-39(52)33-14-11-12-19-46(33)8)34(25(3)4)22-35(57-28(7)48)40-44-32(23-58-40)38(51)43-30(20-27(6)42(54)55)21-29-15-17-31(49)18-16-29/h15-18,23,25-27,30,33-35,37,49H,9-14,19-22,24H2,1-8H3,(H,43,51)(H,45,52)(H,54,55)/t26-,27-,30+,33+,34+,35+,37-/m0/s1

1 reference

Tubulysin B (English)

8 October 2016

2 references

Tubulysin B (English)

CAS (formerly Chemical Abstracts Service)

8 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

205304-87-6

1 reference

stated in

25 January 2022

1 reference

Tubulysin B (English)

8 October 2016

2 references

Tubulysin B (English)

8 October 2016

ChEBI ID

80035

mapping relation type

2 references

Tubulysin B (English)

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C42H63N5O10S/c1-9-13-36(50)56-24-47(41(53)37(26(5)10-2)45-39(52)33-14-11-12-19-46(33)8)34(25(3)4)22-35(57-28(7)48)40-44-32(23-58-40)38(51)43-30(20-27(6)42(54)55)21-29-15-17-31(49)18-16-29/h15-18,23,25-27,30,33-35,37,49H,9-14,19-22,24H2,1-8H3,(H,43,51)(H,45,52)(H,54,55)/t26-,27-,30+,33+,34+,35+,37-/m0/s1

1 reference

TUBULYSIN B (English)

8 October 2016

1 reference

1 reference

1 reference

Tubulysin B (English)

8 October 2016

UNII

44D2D2M50T

1 reference

1 reference

Tubulysin B (English)