Phe+CO[Lys+Val+Leu+MeHty+MetO]
AlkaPlorer ID: AK102848
Synonym: None
IUPAC Name: 2-[[(12S)-6-[2-(4-hydroxyphenyl)ethyl]-4,7-dimethyl-9-(2-methylpropyl)-3-(2-methylsulfinylethyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
Structure
SMILES: CC(C)CC1NC(=O)[C@H](C(C)C)NC(=O)C(NC(=O)NC(CC2=CC=CC=C2)C(=O)O)CCCCNC(=O)C(CCS(C)=O)N(C)C(=O)C(CCC2=CC=C(O)C=C2)N(C)C1=O
InChI: InChI=1S/C44H65N7O10S/c1-27(2)25-33-41(56)51(6)36(21-18-29-16-19-31(52)20-17-29)42(57)50(5)35(22-24-62(7)61)39(54)45-23-12-11-15-32(38(53)49-37(28(3)4)40(55)46-33)47-44(60)48-34(43(58)59)26-30-13-9-8-10-14-30/h8-10,13-14,16-17,19-20,27-28,32-37,52H,11-12,15,18,21-26H2,1-7H3,(H,45,54)(H,46,55)(H,49,53)(H,58,59)(H2,47,48,60)/t32?,33?,34?,35?,36?,37-,62?/m0/s1
InChIKey: MEFKVASVBPEKPK-JCXQSWMKSA-N
Reference
Structures and Activity of New Anabaenopeptins Produced by Baltic Sea Cyanobacteria
PubChem CID: 139590360
{NPAtlas: NPA023068
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Sea | Nymphalidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 884.1099999999999
TPSA？: 243.65
MolLogP？: 2.082900000000009
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|