Pseudoaeruginosin NS2
AlkaPlorer ID: AK004458
Synonym: None
IUPAC Name: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2S)-2-(hexanoylamino)-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
Structure
SMILES: CCCCCC(O)=N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1C[C@@H](C)C[C@H]1C(O)=NC(CO)CCCNC(=N)N
InChI: InChI=1S/C27H44N6O5/c1-3-4-5-8-24(36)32-22(15-19-9-11-21(35)12-10-19)26(38)33-16-18(2)14-23(33)25(37)31-20(17-34)7-6-13-30-27(28)29/h9-12,18,20,22-23,34-35H,3-8,13-17H2,1-2H3,(H,31,37)(H,32,36)(H4,28,29,30)/t18-,20?,22-,23-/m0/s1
InChIKey: FWZWNDYYSSVPMN-JLWWHIBLSA-N
Reference
Pseudoaeruginosins, Nonribosomal Peptides in <i>Nodularia spumigena</i>
PubChem CID: 146683669
LOTUS: LTS0224231
{NPAtlas: NPA027297
Source
Properties Information
Molecule Weight: 532.6860000000003
TPSA？: 187.85
MolLogP？: 2.6577700000000006
Number of H-Donors: 7
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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