L-Leu-D-MeAsp(β)-L-Arg-Adda-D-Glu(γ)-Mdha-D-Ala-OH
AlkaPlorer ID: AK074102
Synonym: None
IUPAC Name: (4R)-4-[[(2S,3R,4E,6E,8S,9S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxy-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoyl]amino]-5-[[3-[[(1S)-1-carboxyethyl]amino]-3-oxoprop-1-en-2-yl]-methylamino]-5-oxopentanoic acid
Structure
SMILES: C=C(C(O)=N[C@@H](C)C(=O)O)N(C)C(=O)[C@@H](CCC(=O)O)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](CC(=O)OC)N=C(O)[C@@H](N)CC(C)C
InChI: InChI=1S/C49H76N10O13/c1-27(2)23-34(50)44(65)58-38(26-41(62)72-10)46(67)56-36(17-14-22-53-49(51)52)45(66)55-35(19-18-28(3)24-29(4)39(71-9)25-33-15-12-11-13-16-33)30(5)42(63)57-37(20-21-40(60)61)47(68)59(8)32(7)43(64)54-31(6)48(69)70/h11-13,15-16,18-19,24,27,29-31,34-39H,7,14,17,20-23,25-26,50H2,1-6,8-10H3,(H,54,64)(H,55,66)(H,56,67)(H,57,63)(H,58,65)(H,60,61)(H,69,70)(H4,51,52,53)/b19-18+,28-24+/t29-,30-,31-,34-,35+,36-,37+,38+,39-/m0/s1
InChIKey: VCIRRSHFOUSDPE-HOBRTJIKSA-N
Reference
Isolation of linear peptides related to the hepatotoxins nodularin and microcystins
PubChem CID: 139585302
LOTUS: LTS0132116
SuperNatural Ⅲ: SN0386530-02
{NPAtlas: NPA007893
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nodularia spumigena | Nodularia | Aphanizomenonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1013.2039999999996
TPSA？: 381.31
MolLogP？: 4.78547000000001
Number of H-Donors: 11
Number of H-Acceptors: 13
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|