Integramide A
AlkaPlorer ID: AK302598
Synonym: None
IUPAC Name: 2-[[2-[[2-[[1-[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[1-(2-acetamido-2-methylbutanoyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-2-methylbutanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-2-methylbutanoyl]amino]-2-methylbutanoyl]amino]acetic acid
Structure
SMILES: CCC(C)C(NC(=O)C1CC(O)CN1C(=O)C(C)(CC)NC(C)=O)C(=O)NC(C)(CC)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC(O)CC1C(=O)NC(CC(C)C)C(=O)NC(C)(CC)C(=O)NC(C)(C)C(=O)N1CC(O)CC1C(=O)NC(C)(CC)C(=O)NC(C)(CC)C(=O)NCC(=O)O
InChI: InChI=1S/C78H134N16O21/c1-26-43(11)54(82-58(104)51-35-46(97)40-94(51)69(115)78(25,31-6)83-44(12)95)60(106)87-75(22,28-3)64(110)81-49(33-42(9)10)55(101)84-70(13,14)61(107)88-71(15,16)62(108)89-72(17,18)67(113)92-38-45(96)34-50(92)57(103)80-48(32-41(7)8)56(102)85-76(23,29-4)65(111)90-73(19,20)68(114)93-39-47(98)36-52(93)59(105)86-77(24,30-5)66(112)91-74(21,27-2)63(109)79-37-53(99)100/h41-43,45-52,54,96-98H,26-40H2,1-25H3,(H,79,109)(H,80,103)(H,81,110)(H,82,104)(H,83,95)(H,84,101)(H,85,102)(H,86,105)(H,87,106)(H,88,107)(H,89,108)(H,90,111)(H,91,112)(H,99,100)
InChIKey: YFTZKWBPDUOAJS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dendrodochium sp. | Dendrodochium | Bionectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1632.0209999999993
TPSA？: 537.2199999999999
MolLogP？: -1.3111000000000057
Number of H-Donors: 17
Number of H-Acceptors: 20
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|