Thalassospiramide B
AlkaPlorer ID: AK002244
Synonym: None
IUPAC Name: (Z)-N-[(2S,3S)-5-[[(2S)-1-[[(2S,3S)-1,3-dihydroxy-5-[[(2S)-1-[[(3S,6S,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-5-oxo-1-phenylpentan-2-yl]dec-3-enamide
Structure
SMILES: CCCCCC/C=C\CC(O)=N[C@@H](CC1=CC=CC=C1)[C@@H](O)CC(O)=N[C@H](C(O)=N[C@@H](CO)[C@@H](O)CC(O)=N[C@H](C(O)=N[C@@H]1C=CC(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/C56H83N7O13/c1-9-10-11-12-13-14-18-21-46(68)58-41(28-37-19-16-15-17-20-37)44(66)30-48(70)62-51(35(4)5)54(73)59-42(32-64)45(67)31-49(71)61-50(34(2)3)53(72)57-39-24-27-47(69)60-52(36(6)7)55(74)63(8)43(56(75)76-33-39)29-38-22-25-40(65)26-23-38/h14-20,22-27,34-36,39,41-45,50-52,64-67H,9-13,21,28-33H2,1-8H3,(H,57,72)(H,58,68)(H,59,73)(H,60,69)(H,61,71)(H,62,70)/b18-14-,27-24?/t39-,41+,42+,43+,44+,45+,50+,51+,52+/m1/s1
InChIKey: CRQZWNMPCIFJKX-GAHHVCHBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalassospira sp. | Thalassospira | Thalassospiraceae | Rhodospirillales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1062.3159999999996
TPSA？: 323.07
MolLogP？: 7.447000000000009
Number of H-Donors: 10
Number of H-Acceptors: 13
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|