Not named
AlkaPlorer ID: AK015304
Synonym: None
IUPAC Name: (2R,3S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S,3S,4E,6E,8S,9S)-1-[[(1R)-1-carboxy-4-[[3-[[(1R)-1-carboxyethyl]amino]-3-oxoprop-1-en-2-yl]-methylamino]-4-oxobutyl]amino]-9-methoxy-2,6,8-trimethyl-1-oxo-10-phenyldeca-4,6-dien-3-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-4-oxobutanoic acid
Structure
SMILES: C=C(C(O)=N[C@H](C)C(=O)O)N(C)C(=O)CC[C@@H](N=C(O)[C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@H](CC1=CC=CC=C1)OC)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](C)[C@@H](N=C(O)[C@@H](N)CC(C)C)C(=O)O)C(=O)O
InChI: InChI=1S/C49H76N10O13/c1-26(2)23-34(50)44(64)58-40(48(70)71)30(6)42(62)56-36(17-14-22-53-49(51)52)45(65)55-35(19-18-27(3)24-28(4)38(72-10)25-33-15-12-11-13-16-33)29(5)41(61)57-37(47(68)69)20-21-39(60)59(9)32(8)43(63)54-31(7)46(66)67/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25,50H2,1-7,9-10H3,(H,54,63)(H,55,65)(H,56,62)(H,57,61)(H,58,64)(H,66,67)(H,68,69)(H,70,71)(H4,51,52,53)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36-,37+,38-,40+/m0/s1
InChIKey: IENVPMAERSWHAY-RNJNOEPSSA-N
Reference
Isolation of linear peptides related to the hepatotoxins nodularin and microcystins
PubChem CID: 139583203
LOTUS: LTS0150002
SuperNatural Ⅲ: SN0143523-02
{NPAtlas: NPA000425
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microcystis sp. | Microcystis | Microcystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1013.2039999999996
TPSA？: 392.31000000000006
MolLogP？: 4.94307000000001
Number of H-Donors: 12
Number of H-Acceptors: 12
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|