Tauramamide Ethyl Ester
AlkaPlorer ID: AK039202
Synonym: None
IUPAC Name: ethyl (2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-3-hydroxy-2-[[(2R)-3-(4-hydroxyphenyl)-2-(7-methyloctanoylamino)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoate
Structure
SMILES: CCOC(=O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC1=CNC2=CC=CC=C12)N=C(O)[C@@H](CC(C)C)N=C(O)[C@H](CO)N=C(O)[C@@H](CC1=CC=C(O)C=C1)N=C(O)CCCCCC(C)C
InChI: InChI=1S/C46H69N9O9/c1-6-64-45(63)35(16-12-22-49-46(47)48)52-43(61)38(25-31-26-50-34-15-11-10-14-33(31)34)54-41(59)36(23-29(4)5)53-44(62)39(27-56)55-42(60)37(24-30-18-20-32(57)21-19-30)51-40(58)17-9-7-8-13-28(2)3/h10-11,14-15,18-21,26,28-29,35-39,50,56-57H,6-9,12-13,16-17,22-25,27H2,1-5H3,(H,51,58)(H,52,61)(H,53,62)(H,54,59)(H,55,60)(H4,47,48,49)/t35-,36+,37+,38-,39-/m0/s1
InChIKey: PXRAOBALJVAXFC-SKPRLWQBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Brevibacillus laterosporus | Brevibacillus | Paenibacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 892.1119999999999
TPSA？: 307.4
MolLogP？: 6.755470000000011
Number of H-Donors: 11
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 75.0 | ug.mL-1 | 10.1021/np070209r |
| Candida albicans | Candida albicans | MIC | 200.0 | ug.mL-1 | 10.1021/np070209r |
| Enterococcus sp. | Enterococcus sp. | MIC | 0.1 | ug.mL-1 | 10.1021/np070209r |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 9.4 | ug.mL-1 | 10.1021/np070209r |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 25.0 | ug.mL-1 | 10.1021/np070209r |