Talaropeptide B
AlkaPlorer ID: AK147490
Synonym: None
IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[methyl-[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Structure
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N(C)C(=O)[C@H](CC1=CC=CC=C1)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)NC)C(C)C)[C@@H](C)O)C(C)C
InChI: InChI=1S/C70H120N12O14/c1-26-44(16)58(62(87)72-48(70(95)96)35-37(2)3)81(25)65(90)50(36-47-31-28-27-29-32-47)76(20)67(92)55(41(10)11)80(24)68(93)56(42(12)13)78(22)64(89)49-33-30-34-82(49)69(94)57(43(14)15)79(23)66(91)52(39(6)7)74-60(85)53(46(18)83)75-59(84)51(38(4)5)73-61(86)54(40(8)9)77(21)63(88)45(17)71-19/h27-29,31-32,37-46,48-58,71,83H,26,30,33-36H2,1-25H3,(H,72,87)(H,73,86)(H,74,85)(H,75,84)(H,95,96)/t44-,45-,46+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1
InChIKey: CWUNJRMISPNJFK-DTNNBZDOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Talaromyces sp. | Talaromyces | Trichocomaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1353.7999999999984
TPSA？: 328.13
MolLogP？: 3.2228000000000003
Number of H-Donors: 7
Number of H-Acceptors: 14
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|