Desacetyltubulysin E
AlkaPlorer ID: AK070703
Synonym: None
IUPAC Name: (2S,4R)-4-[[2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
Structure
SMILES: CCCC(=O)OCN(C(=O)[C@@H](N=C(O)[C@H]1CCCCN1C)[C@@H](C)CC)[C@H](C[C@@H](O)C1=NC(C(O)=N[C@@H](CC2=CC=CC=C2)C[C@H](C)C(=O)O)=CS1)C(C)C
InChI: InChI=1S/C40H61N5O8S/c1-8-15-34(47)53-24-45(39(50)35(26(5)9-2)43-37(49)31-18-13-14-19-44(31)7)32(25(3)4)22-33(46)38-42-30(23-54-38)36(48)41-29(20-27(6)40(51)52)21-28-16-11-10-12-17-28/h10-12,16-17,23,25-27,29,31-33,35,46H,8-9,13-15,18-22,24H2,1-7H3,(H,41,48)(H,43,49)(H,51,52)/t26-,27-,29+,31+,32+,33+,35-/m0/s1
InChIKey: DOYIXGPYLLRQLL-PKHFACMMSA-N
Reference
Discovery of 23 Natural Tubulysins from Angiococcus disciformis An d48 and Cystobacter SBCb004
PubChem CID: 139585425
LOTUS: LTS0235716
{NPAtlas: NPA008321
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cystobacter sp. SBCb004 | Cystobacter | Archangiaceae | Myxococcales | Myxococcia | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 772.0220000000002
TPSA？: 185.45
MolLogP？: 6.602800000000007
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|