Ile+CO[Lys+Val+Hph+MeHty+MetO]
AlkaPlorer ID: AK102813
Synonym: None
IUPAC Name: (2S,3S)-2-[[(3S,6S,9S,12S,15S)-6-[2-(4-hydroxyphenyl)ethyl]-4,7-dimethyl-3-(2-methylsulfinylethyl)-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid
Structure
SMILES: CC[C@H](C)[C@H](NC(=O)N[C@H]1CCCCNC(=O)[C@H](CCS(C)=O)N(C)C(=O)[C@H](CCC2=CC=C(O)C=C2)N(C)C(=O)[C@H](CCC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC1=O)C(=O)O
InChI: InChI=1S/C45H67N7O10S/c1-8-29(4)38(44(59)60)50-45(61)48-33-16-12-13-26-46-40(55)35(25-27-63(7)62)51(5)43(58)36(24-20-31-17-21-32(53)22-18-31)52(6)42(57)34(23-19-30-14-10-9-11-15-30)47-41(56)37(28(2)3)49-39(33)54/h9-11,14-15,17-18,21-22,28-29,33-38,53H,8,12-13,16,19-20,23-27H2,1-7H3,(H,46,55)(H,47,56)(H,49,54)(H,59,60)(H2,48,50,61)/t29-,33-,34-,35-,36-,37-,38-,63?/m0/s1
InChIKey: CCHYAJPATWCUGC-XBTPWTBYSA-N
Reference
Structures and Activity of New Anabaenopeptins Produced by Baltic Sea Cyanobacteria
PubChem CID: 139590359
{NPAtlas: NPA023067
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Sea | Nymphalidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 898.1370000000001
TPSA？: 243.65
MolLogP？: 2.473000000000009
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|