N-hydroxymethyl12-keto pretubulysin D
AlkaPlorer ID: AK070757
Synonym: None
IUPAC Name: (2S,4R)-4-[[2-[(3S)-3-[hydroxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methyl-2-oxopentyl]-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](C(=O)CC1=NC(C(O)=N[C@@H](CC2=CC=CC=C2)C[C@H](C)C(=O)O)=CS1)C(C)C
InChI: InChI=1S/C36H53N5O7S/c1-7-23(4)31(39-34(45)28-15-11-12-16-40(28)6)35(46)41(21-42)32(22(2)3)29(43)19-30-38-27(20-49-30)33(44)37-26(17-24(5)36(47)48)18-25-13-9-8-10-14-25/h8-10,13-14,20,22-24,26,28,31-32,42H,7,11-12,15-19,21H2,1-6H3,(H,37,44)(H,39,45)(H,47,48)/t23-,24-,26+,28+,31-,32-/m0/s1
InChIKey: QFLHIKUPIBOTKU-XXIVNECHSA-N
Reference
Discovery of 23 Natural Tubulysins from Angiococcus disciformis An d48 and Cystobacter SBCb004
PubChem CID: 139587538
LOTUS: LTS0076067
{NPAtlas: NPA015994
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cystobacter sp. SBCb004 | Cystobacter | Archangiaceae | Myxococcales | Myxococcia | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 699.9150000000002
TPSA？: 176.22
MolLogP？: 4.939900000000005
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|