Thalassospiramide A7
AlkaPlorer ID: AK131850
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]-1-oxo-3-phenylpropan-2-yl]dec-3-enamide
Structure
SMILES: CCCCCC/C=C\CC(=O)N[C@@H](CC1=CC=CC=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/C55H81N7O12/c1-10-11-12-13-14-15-19-22-45(66)57-41(29-37-20-17-16-18-21-37)51(69)60-49(35(4)5)53(71)58-42(32-63)44(65)31-46(67)59-48(34(2)3)52(70)56-39-25-28-47(68)62(9)50(36(6)7)54(72)61(8)43(55(73)74-33-39)30-38-23-26-40(64)27-24-38/h15-21,23-28,34-36,39,41-44,48-50,63-65H,10-14,22,29-33H2,1-9H3,(H,56,70)(H,57,66)(H,58,71)(H,59,67)(H,60,69)/b19-15-,28-25+/t39-,41+,42+,43+,44+,48+,49+,50+/m1/s1
InChIKey: TXVFYSMSKHKYIY-PTWUEWQKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalassospira sp. | Thalassospira | Thalassospiraceae | Rhodospirillales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1032.2899999999995
TPSA？: 273.11
MolLogP？: 2.996400000000012
Number of H-Donors: 8
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|