Desacetyltubulysin D
AlkaPlorer ID: AK065741
Synonym: None
IUPAC Name: (2S,4R)-4-[[2-[(1R,3R)-1-hydroxy-4-methyl-3-[3-methylbutanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@H]1CCCCN1C)C(=O)N(COC(=O)CC(C)C)[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/C41H63N5O8S/c1-9-27(6)36(44-38(50)32-17-13-14-18-45(32)8)40(51)46(24-54-35(48)19-25(2)3)33(26(4)5)22-34(47)39-43-31(23-55-39)37(49)42-30(20-28(7)41(52)53)21-29-15-11-10-12-16-29/h10-12,15-16,23,25-28,30,32-34,36,47H,9,13-14,17-22,24H2,1-8H3,(H,42,49)(H,44,50)(H,52,53)/t27-,28-,30+,32+,33+,34+,36-/m0/s1
InChIKey: JHIJPLFWJXRAEW-PWFOTUCGSA-N
Reference
Discovery of 23 Natural Tubulysins from Angiococcus disciformis An d48 and Cystobacter SBCb004
PubChem CID: 89666283
LOTUS: LTS0219183
{NPAtlas: NPA005026
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cystobacter sp. SBCb004 | Cystobacter | Archangiaceae | Myxococcales | Myxococcia | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 786.0490000000001
TPSA？: 185.45
MolLogP？: 6.848800000000008
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|