monomethyl auristatin F (Q17132959)

SCHEMBL15215623 (English)

21 September 2016

chemical formula

C₃₉H₆₅N₅O₈

1 reference

SCHEMBL15215623 (English)

21 September 2016

canonical SMILES

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)NC

1 reference

SCHEMBL15215623 (English)

21 September 2016

isomeric SMILES

CC[C@H](C)C([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC

1 reference

SCHEMBL15215623 (English)

InChI=1S/C39H65N5O8/c1-12-25(6)34(43(9)38(48)33(24(4)5)42-37(47)32(40-8)23(2)3)30(51-10)22-31(45)44-20-16-19-29(44)35(52-11)26(7)36(46)41-28(39(49)50)21-27-17-14-13-15-18-27/h13-15,17-18,23-26,28-30,32-35,40H,12,16,19-22H2,1-11H3,(H,41,46)(H,42,47)(H,49,50)/t25-,26+,28-,29-,30+,32-,33-,34?,35+/m0/s1

21 September 2016

Identifiers

InChI

1 reference

SCHEMBL15215623 (English)

MFRNYXJJRJQHNW-NARUGQRUSA-N

21 September 2016

InChIKey

1 reference

SCHEMBL15215623 (English)

21 September 2016

1 reference

Monomethyl auristatin F (English)

21 September 2016

2 references

SCHEMBL15215623 (English)