Thalassospiramide A11
AlkaPlorer ID: AK131871
Synonym: None
IUPAC Name: (Z)-N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1,3-dihydroxy-5-[[(2S)-1-[[(3S,6S,9E,11R)-3-[(4-hydroxyphenyl)methyl]-4-methyl-2,5,8-trioxo-6-propan-2-yl-1-oxa-4,7-diazacyclododec-9-en-11-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]dodec-3-enamide
Structure
SMILES: CCCCCCCC/C=C\CC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)[C@@H](O)CC(=O)N[C@H](C(=O)N[C@@H]1/C=C/C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC2=CC=C(O)C=C2)C(=O)OC1)C(C)C)C(C)C
InChI: InChI=1S/C50H79N7O13/c1-9-10-11-12-13-14-15-16-17-18-40(62)52-37(28-59)46(65)56-44(31(4)5)48(67)53-36(27-58)39(61)26-42(64)55-43(30(2)3)47(66)51-34-21-24-41(63)54-45(32(6)7)49(68)57(8)38(50(69)70-29-34)25-33-19-22-35(60)23-20-33/h16-17,19-24,30-32,34,36-39,43-45,58-61H,9-15,18,25-29H2,1-8H3,(H,51,66)(H,52,62)(H,53,67)(H,54,63)(H,55,64)(H,56,65)/b17-16-,24-21+/t34-,36+,37+,38+,39+,43+,44+,45+/m1/s1
InChIKey: YRZRDRDNAZHZOP-WPGGPTDNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalassospira sp. | Thalassospira | Thalassospiraceae | Rhodospirillales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 986.2179999999998
TPSA？: 302.13
MolLogP？: 1.184000000000012
Number of H-Donors: 10
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|