11-hydroxy-N-desmethyl 12-keto pretubulysin D
AlkaPlorer ID: AK070723
Synonym: None
IUPAC Name: (2S,4R)-4-[[2-[(3S)-1-hydroxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-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[C@H](C(=O)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/C35H51N5O7S/c1-7-21(4)28(39-32(44)26-15-11-12-16-40(26)6)33(45)38-27(20(2)3)29(41)30(42)34-37-25(19-48-34)31(43)36-24(17-22(5)35(46)47)18-23-13-9-8-10-14-23/h8-10,13-14,19-22,24,26-28,30,42H,7,11-12,15-18H2,1-6H3,(H,36,43)(H,38,45)(H,39,44)(H,46,47)/t21-,22-,24+,26+,27-,28-,30?/m0/s1
InChIKey: KCPIHEYQIBMMLE-BDVXFMJFSA-N
Reference
Discovery of 23 Natural Tubulysins from Angiococcus disciformis An d48 and Cystobacter SBCb004
PubChem CID: 139586106
LOTUS: LTS0209780
{NPAtlas: NPA010843
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cystobacter sp. SBCb004 | Cystobacter | Archangiaceae | Myxococcales | Myxococcia | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 685.8880000000001
TPSA？: 188.5
MolLogP？: 5.6089000000000055
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|