[4-({[3-(1H-indol-3-yl)-2-[4-methyl-2-(methylamino)hexanamido]propanoyl]oxy}methyl)phenyl]oxidanesulfonic acid
AlkaPlorer ID: AK512879
Synonym: None
IUPAC Name: (4-sulfooxyphenyl)methyl (2S)-3-(1H-indol-3-yl)-2-[[(2S,4S)-4-methyl-2-(methylamino)hexanoyl]amino]propanoate
Structure
SMILES: CC[C@H](C)C[C@H](NC)C(O)=N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)OCC1=CC=C(OS(=O)(=O)O)C=C1
InChI: InChI=1S/C26H33N3O7S/c1-4-17(2)13-23(27-3)25(30)29-24(14-19-15-28-22-8-6-5-7-21(19)22)26(31)35-16-18-9-11-20(12-10-18)36-37(32,33)34/h5-12,15,17,23-24,27-28H,4,13-14,16H2,1-3H3,(H,29,30)(H,32,33,34)/t17-,23-,24-/m0/s1
InChIKey: RMBCXXFJOKTZFD-DPSWKAHMSA-N
Reference
New Indole Derivatives from<i>Martensia denticulata</i>Seaweed
PubChem CID: 163185866
LOTUS: LTS0162304
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Martensia denticulata | Martensia | Delesseriaceae | Ceramiales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 531.6310000000003
TPSA？: 150.30999999999997
MolLogP？: 3.984700000000003
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|