Primary record
Auristatin E
- CAS
- 160800-57-7
- PubChem CID
- 11498622
- SMILES
- CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C
- Molecular Formula
- C40H69N5O7
- Molecular Weight
- 732.02
- Exact Mass
- 731.5197
- InChI
- InChI=1S/C40H69N5O7/c1-14-26(6)35(44(11)40(50)33(24(2)3)42-39(49)34(25(4)5)43(9)10)31(51-12)23-32(46)45-22-18-21-30(45)37(52-13)27(7)38(48)41-28(8)36(47)29-19-16-15-17-20-29/h15-17,19-20,24-28,30-31,33-37,47H,14,18,21-23H2,1-13H3,(H,41,48)(H,42,49)/t26-,27+,28+,30-,31+,33-,34-,35-,36+,37+/m0/s1
- InChIKey
- WOWDZACBATWTAU-FEFUEGSOSA-N
- LogP
- 3.872
- TPSA
- 140.75
Names and synonyms
- Auristatin E
- Auristatin E?
- 160800-57-7
- Auristatin E (GMP)
- RefChem:798177
- 6HVC4GNR7Z
- orb1308627
- SCHEMBL1687439
- CHEMBL4082989
- MFCD25976744
- WOWDZACBATWTAU-FEFUEGSOSA-N
- BADC-00188
- C40H69N5O7
- AMY10330
- EX-A3360
- KGA80057
- HY-15582G
- AKOS040741181
- ZINC161888715
- CS-3435
- CID11498622
- BP-23645
- CID 11498622
- DA-71150
- HY-15582
- MS-31271
- (+-)-trans-2.6-dibromo-cyclohexanone-(1)
- CS-0899140
- J1.915.647H
- F85071