11-Acetoxy-N-hydroxymethyl-pretubulysin
AlkaPlorer ID: AK070736
Synonym: None
IUPAC Name: (2S,4R)-4-[[2-[(3R)-1-acetyloxy-3-[hydroxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-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(CO)[C@H](CC(OC(C)=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/C38H57N5O8S/c1-8-24(4)33(41-35(47)30-16-12-13-17-42(30)7)37(48)43(22-44)31(23(2)3)20-32(51-26(6)45)36-40-29(21-52-36)34(46)39-28(18-25(5)38(49)50)19-27-14-10-9-11-15-27/h9-11,14-15,21,23-25,28,30-33,44H,8,12-13,16-20,22H2,1-7H3,(H,39,46)(H,41,47)(H,49,50)/t24-,25-,28+,30+,31+,32?,33-/m0/s1
InChIKey: IVAMWOWNWPBUJU-ZTJQOVPWSA-N
Reference
Discovery of 23 Natural Tubulysins from Angiococcus disciformis An d48 and Cystobacter SBCb004
PubChem CID: 139586394
LOTUS: LTS0204292
{NPAtlas: NPA011837
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cystobacter sp. SBCb004 | Cystobacter | Archangiaceae | Myxococcales | Myxococcia | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 743.9680000000002
TPSA？: 185.45
MolLogP？: 5.822600000000007
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|