Adda-D-Glu(γ)-Mdha-D-Ala-L-Leu-D-MeAsp(β)-L-Arg-OH
AlkaPlorer ID: AK039700
Synonym: None
IUPAC Name: (2R,3S)-2-[[(2S)-2-[[(2R)-2-[2-[[(2R)-2-[[(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoyl]amino]-4-carboxybutanoyl]-methylamino]prop-2-enoylamino]propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-3-methyl-4-oxobutanoic acid
Structure
SMILES: C=C(C(O)=N[C@H](C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](C(=O)O)[C@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O)N(C)C(=O)[C@@H](CCC(=O)O)N=C(O)[C@@H](C)[C@@H](N)/C=C/C(C)=C/[C@H](C)[C@H](CC1=CC=CC=C1)OC
InChI: InChI=1S/C49H76N10O13/c1-26(2)23-37(45(66)58-40(48(70)71)30(6)42(63)56-36(47(68)69)17-14-22-53-49(51)52)57-43(64)31(7)54-44(65)32(8)59(9)46(67)35(20-21-39(60)61)55-41(62)29(5)34(50)19-18-27(3)24-28(4)38(72-10)25-33-15-12-11-13-16-33/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,54,65)(H,55,62)(H,56,63)(H,57,64)(H,58,66)(H,60,61)(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: MDLRMBQBQKNBKL-FDEKQDHZSA-N
Reference
Isolation of linear peptides related to the hepatotoxins nodularin and microcystins
PubChem CID: 139583655
LOTUS: LTS0031517
SuperNatural Ⅲ: SN0222647-02
{NPAtlas: NPA001996
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nodularia spumigena | Nodularia | Aphanizomenonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1013.2039999999998
TPSA？: 392.31
MolLogP？: 4.943070000000013
Number of H-Donors: 12
Number of H-Acceptors: 12
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|