Molecule

Spumigin F

AlkaPlorer ID: AK074948

Synonym: None

IUPAC Name: (2S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]pyrrolidine-2-carboxamide

Structure

SMILES: N=C(N)NCCCC(C=O)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](CCC1=CC=C(O)C=C1)N=C(O)[C@H](O)CC1=CC=C(O)C=C1

InChI: InChI=1S/C30H40N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,18,21,24-26,38-40H,1-4,9,14-17H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1

InChIKey: ZSNZKFBMFHDMOM-TUJAQADMSA-N

Reference

The non‐ribosomal assembly and frequent occurrence of the protease inhibitors spumigins in the bloom‐forming cyanobacterium <i>Nodularia spumigena</i>

PubChem CID: 139588807

LOTUS: LTS0106569

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NPAtlas: NPA020368

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Cyanobacterium	Geminocystaceae	Chroococcales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 596.6850000000003

TPSA？: 225.14999999999995

MolLogP？: 1.737370000000002

Number of H-Donors: 8

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi