Spumigin B2
AlkaPlorer ID: AK074131
Synonym: None
IUPAC Name: (2R)-5-(diaminomethylideneamino)-2-[[(2S,4S)-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carbonyl]amino]pentanoic acid
Structure
SMILES: C[C@H]1C[C@@H](C(O)=N[C@H](CCCNC(=N)N)C(=O)O)N(C(=O)[C@@H](CCC2=CC=C(O)C=C2)N=C(O)[C@H](O)CC2=CC=C(O)C=C2)C1
InChI: InChI=1S/C31H42N6O8/c1-18-15-25(27(41)36-24(30(44)45)3-2-14-34-31(32)33)37(17-18)29(43)23(13-8-19-4-9-21(38)10-5-19)35-28(42)26(40)16-20-6-11-22(39)12-7-20/h4-7,9-12,18,23-26,38-40H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,41)(H,44,45)(H4,32,33,34)/t18-,23+,24+,25-,26+/m0/s1
InChIKey: MNCDUGJJFHDUNT-XAQLEQOKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nodularia spumigena | Nodularia | Aphanizomenonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 626.7110000000001
TPSA？: 245.38
MolLogP？: 1.869070000000003
Number of H-Donors: 9
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|