Thalassospiramide A10
AlkaPlorer ID: AK131866
Synonym: None
IUPAC Name: 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]octanamide
Structure
SMILES: CCCCCCCC(=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/C46H73N7O13/c1-9-10-11-12-13-14-36(58)48-33(24-55)42(61)52-40(27(4)5)44(63)49-32(23-54)35(57)22-38(60)51-39(26(2)3)43(62)47-30-17-20-37(59)50-41(28(6)7)45(64)53(8)34(46(65)66-25-30)21-29-15-18-31(56)19-16-29/h15-20,26-28,30,32-35,39-41,54-57H,9-14,21-25H2,1-8H3,(H,47,62)(H,48,58)(H,49,63)(H,50,59)(H,51,60)(H,52,61)/b20-17+/t30-,32+,33+,34+,35+,39+,40+,41+/m1/s1
InChIKey: AUXLHZFWDLSFFN-MEKHSURISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalassospira sp. | Thalassospira | Thalassospiraceae | Rhodospirillales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 932.126
TPSA？: 302.13
MolLogP？: -0.1523999999999929
Number of H-Donors: 10
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|