Dolastatin 12
AlkaPlorer ID: AK003673
Synonym: '122054-77-7', 'Dolastatin 12'
IUPAC Name: (8S,14S,17S,20S,25S)-17-benzyl-2-butan-2-yl-28-ethyl-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-14-propan-2-yl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone
Structure
SMILES: CCC(C)C1OC(=O)C(C)C(CC)N=C(O)[C@H](C)N(C)C(=O)C(C)(C)C(=O)[C@H](C)N=C(O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CN=C(O)[C@H](CC(C)C)N(C)C(=O)CN=C1O
InChI: InChI=1S/C50H80N8O11/c1-17-30(7)41-46(65)52-26-38(59)56(14)36(24-28(3)4)44(63)51-27-39(60)58(16)40(29(5)6)47(66)57(15)37(25-34-22-20-19-21-23-34)45(64)53-32(9)42(61)50(11,12)49(68)55(13)33(10)43(62)54-35(18-2)31(8)48(67)69-41/h19-23,28-33,35-37,40-41H,17-18,24-27H2,1-16H3,(H,51,63)(H,52,65)(H,53,64)(H,54,62)/t30?,31?,32-,33-,35?,36-,37-,40-,41?/m0/s1
InChIKey: MLDFWFKDAWCBSV-RHXOOYMASA-N
Reference
Isolation and Structure of the Cell Growth Inhibitory Depsipeptides Dolastatins 11 and 12
PubChem CID: 3086602
LOTUS: LTS0012532
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Schizothrix calcicola | Schizothrix | Schizotrichaceae | Pseudanabaenales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 969.2349999999996
TPSA？: 254.97
MolLogP？: 5.4551000000000105
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|