Thalassospiramide A6
AlkaPlorer ID: AK131844
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]-4,7-dimethyl-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-(4-hydroxyphenyl)-1-oxopropan-2-yl]dec-3-enamide
Structure
SMILES: CCCCCC/C=C\CC(=O)N[C@@H](CC1=CC=C(O)C=C1)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)[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/C55H81N7O13/c1-10-11-12-13-14-15-16-17-45(67)57-41(28-36-18-23-39(64)24-19-36)51(70)60-49(34(4)5)53(72)58-42(31-63)44(66)30-46(68)59-48(33(2)3)52(71)56-38-22-27-47(69)62(9)50(35(6)7)54(73)61(8)43(55(74)75-32-38)29-37-20-25-40(65)26-21-37/h15-16,18-27,33-35,38,41-44,48-50,63-66H,10-14,17,28-32H2,1-9H3,(H,56,71)(H,57,67)(H,58,72)(H,59,68)(H,60,70)/b16-15-,27-22+/t38-,41+,42+,43+,44+,48+,49+,50+/m1/s1
InChIKey: NTODCGIPJCKNSL-LKXUYWNESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalassospira sp. | Thalassospira | Thalassospiraceae | Rhodospirillales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1048.2889999999995
TPSA？: 293.34000000000003
MolLogP？: 2.7020000000000106
Number of H-Donors: 9
Number of H-Acceptors: 13
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|