[D-Asp3]MC‐HphR
AlkaPlorer ID: AK052908
Synonym: None
IUPAC Name: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-8-(2-phenylethyl)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
Structure
SMILES: C=C1C(O)=N[C@H](C)C(O)=N[C@@H](CCC2=CC=CC=C2)C(O)=N[C@@H](C(=O)O)CC(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)[C@H](C)C(O)=N[C@@H](C(=O)O)CCC(=O)N1C
InChI: InChI=1S/C52H72N10O12/c1-30(27-31(2)42(74-7)28-36-17-12-9-13-18-36)20-22-37-32(3)45(65)60-40(50(70)71)24-25-44(64)62(6)34(5)47(67)56-33(4)46(66)59-39(23-21-35-15-10-8-11-16-35)49(69)61-41(51(72)73)29-43(63)57-38(48(68)58-37)19-14-26-55-52(53)54/h8-13,15-18,20,22,27,31-33,37-42H,5,14,19,21,23-26,28-29H2,1-4,6-7H3,(H,56,67)(H,57,63)(H,58,68)(H,59,66)(H,60,65)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b22-20+,30-27+/t31-,32-,33+,37-,38-,39-,40+,41+,42-/m0/s1
InChIKey: SNSOAISNMANBOH-PAAISOOGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Planktothrix sp. | Planktothrix | Microcoleaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1029.2059999999997
TPSA？: 361.58
MolLogP？: 6.210570000000011
Number of H-Donors: 11
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|