{4-[({2-[2-(dimethylamino)-4-methylhexanamido]-3-(1H-indol-3-yl)propanoyl}oxy)methyl]phenyl}oxidanesulfonic acid
AlkaPlorer ID: AK556415
Synonym: None
IUPAC Name: (4-sulfooxyphenyl)methyl (2S)-2-[[(2S,4S)-2-(dimethylamino)-4-methylhexanoyl]amino]-3-(1H-indol-3-yl)propanoate
Structure
SMILES: CC[C@H](C)C[C@@H](C(O)=N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)OCC1=CC=C(OS(=O)(=O)O)C=C1)N(C)C
InChI: InChI=1S/C27H35N3O7S/c1-5-18(2)14-25(30(3)4)26(31)29-24(15-20-16-28-23-9-7-6-8-22(20)23)27(32)36-17-19-10-12-21(13-11-19)37-38(33,34)35/h6-13,16,18,24-25,28H,5,14-15,17H2,1-4H3,(H,29,31)(H,33,34,35)/t18-,24-,25-/m0/s1
InChIKey: WDFYWWGDTRJXQU-WDNCENIBSA-N
Reference
New Indole Derivatives from<i>Martensia denticulata</i>Seaweed
PubChem CID: 163188547
LOTUS: LTS0055303
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Martensia denticulata | Martensia | Delesseriaceae | Ceramiales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 545.6580000000002
TPSA？: 141.52
MolLogP？: 4.326900000000003
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|