L-Phe-D-MeAsp(β)-L-Arg-Adda-D-Glu(γ)-Mdha-D-Ala-OH
AlkaPlorer ID: AK059478
Synonym: None
IUPAC Name: (4R)-4-[[(2S,3R,4E,6E,8S,9S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]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)CC1=CC=CC=C1
InChI: InChI=1S/C52H74N10O13/c1-30(26-31(2)42(74-7)28-36-18-13-10-14-19-36)21-22-38(32(3)45(66)60-40(23-24-43(63)64)50(71)62(6)34(5)46(67)57-33(4)51(72)73)58-48(69)39(20-15-25-56-52(54)55)59-49(70)41(29-44(65)75-8)61-47(68)37(53)27-35-16-11-9-12-17-35/h9-14,16-19,21-22,26,31-33,37-42H,5,15,20,23-25,27-29,53H2,1-4,6-8H3,(H,57,67)(H,58,69)(H,59,70)(H,60,66)(H,61,68)(H,63,64)(H,72,73)(H4,54,55,56)/b22-21+,30-26+/t31-,32-,33-,37-,38+,39-,40+,41+,42-/m0/s1
InChIKey: XRXBRZUIHOEFDK-VWLIMPBISA-N
Reference
Isolation of linear peptides related to the hepatotoxins nodularin and microcystins
PubChem CID: 139584257
LOTUS: LTS0276380
SuperNatural Ⅲ: SN0438447-02
{NPAtlas: NPA004216
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nodularia spumigena | Nodularia | Aphanizomenonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1047.2209999999995
TPSA？: 381.31
MolLogP？: 4.98207000000001
Number of H-Donors: 11
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|