Anacyclamide A11
AlkaPlorer ID: AK002439
Synonym: None
IUPAC Name: 3-[(3S,9S,12S,15S,21S,24S,27S,30R,33S)-27-(2-amino-2-oxoethyl)-3,9-bis[(2S)-butan-2-yl]-30-(carboxymethyl)-12,24-bis(1H-indol-3-ylmethyl)-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontan-15-yl]propanoic acid
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)CN=C(O)[C@H]([C@@H](C)CC)N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@H](CCC(=O)O)N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@H](CC(=N)O)N=C(O)[C@@H](CC(=O)O)N=C(O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C62H84N14O16/c1-7-32(5)52-61(91)67-30-49(79)74-53(33(6)8-2)62(92)76-21-13-18-46(76)60(90)73-45(26-51(82)83)58(88)72-44(25-47(63)77)57(87)71-42(23-34-27-64-38-16-11-9-14-36(34)38)56(86)69-41(22-31(3)4)54(84)66-29-48(78)68-40(19-20-50(80)81)55(85)70-43(59(89)75-52)24-35-28-65-39-17-12-10-15-37(35)39/h9-12,14-17,27-28,31-33,40-46,52-53,64-65H,7-8,13,18-26,29-30H2,1-6H3,(H2,63,77)(H,66,84)(H,67,91)(H,68,78)(H,69,86)(H,70,85)(H,71,87)(H,72,88)(H,73,90)(H,74,79)(H,75,89)(H,80,81)(H,82,83)/t32-,33-,40-,41-,42-,43-,44-,45+,46-,52-,53-/m0/s1
InChIKey: WOTYFQQVCLMODP-QJHFTDIGSA-N
Reference
Highly Diverse Cyanobactins in Strains of the Genus <i>Anabaena</i>
PubChem CID: 146684858
LOTUS: LTS0171905
{NPAtlas: NPA028841
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anabaena sp. 90 | Anabaena | Nostocaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1281.4360000000004
TPSA？: 496.47000000000014
MolLogP？: 8.35597000000001
Number of H-Donors: 16
Number of H-Acceptors: 14
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|