Molecule

Spumigin H

AlkaPlorer ID: AK074963

Synonym: None

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

Structure

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

InChI: InChI=1S/C30H40N6O6/c31-30(32)33-16-4-8-22(19-37)34-27(40)25-9-5-17-36(25)29(42)24(15-12-20-6-2-1-3-7-20)35-28(41)26(39)18-21-10-13-23(38)14-11-21/h1-3,6-7,10-11,13-14,19,22,24-26,38-39H,4-5,8-9,12,15-18H2,(H,34,40)(H,35,41)(H4,31,32,33)/t22?,24-,25+,26-/m1/s1

InChIKey: VBJAVXUALMEUNC-SLRGTUBMSA-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: 139588809

LOTUS: LTS0035565

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NPAtlas: NPA020370

Source

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

Properties Information

Molecule Weight: 580.6860000000004

TPSA？: 204.92

MolLogP？: 2.0317700000000025

Number of H-Donors: 7

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi