N-hydroxymethyl pretubulysin
AlkaPlorer ID: AK017205
Synonym: None
IUPAC Name: (2S,4R)-4-[[2-[(3R)-3-[hydroxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@H]1CCCCN1C)C(=O)N(CO)[C@H](CCC1=NC(C(O)=N[C@@H](CC2=CC=C(O)C=C2)C[C@H](C)C(=O)O)=CS1)C(C)C
InChI: InChI=1S/C36H55N5O7S/c1-7-23(4)32(39-34(45)30-10-8-9-17-40(30)6)35(46)41(21-42)29(22(2)3)15-16-31-38-28(20-49-31)33(44)37-26(18-24(5)36(47)48)19-25-11-13-27(43)14-12-25/h11-14,20,22-24,26,29-30,32,42-43H,7-10,15-19,21H2,1-6H3,(H,37,44)(H,39,45)(H,47,48)/t23-,24-,26+,29+,30+,32-/m0/s1
InChIKey: XAFVAXJSLRHROK-HQURSRCASA-N
Reference
Discovery of 23 Natural Tubulysins from Angiococcus disciformis An d48 and Cystobacter SBCb004
PubChem CID: 139583223
LOTUS: LTS0179523
{NPAtlas: NPA000507
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cystobacter sp. SBCb004 | Cystobacter | Archangiaceae | Myxococcales | Myxococcia | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 701.9310000000002
TPSA？: 179.38
MolLogP？: 5.466500000000005
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|