Molecule

Nannochelin B

AlkaPlorer ID: AK053691

Synonym: '', 'Nannochelin B'

IUPAC Name: (2S)-2-[2-[[(1R)-1-carboxy-5-[hydroxy-[(Z)-3-phenylprop-2-enoyl]amino]pentyl]amino]-2-oxoethyl]-2-hydroxy-4-[[(2S)-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-1-methoxy-1-oxohexan-2-yl]amino]-4-oxobutanoic acid

Structure

SMILES: COC(=O)[C@H](CCCCN(O)C(=O)/C=C/C1=CC=CC=C1)N=C(O)C[C@@](O)(CC(O)=N[C@H](CCCCN(O)C(=O)/C=C\C1=CC=CC=C1)C(=O)O)C(=O)O

InChI: InChI=1S/C37H46N4O13/c1-54-35(48)29(17-9-11-23-41(53)33(45)21-19-27-14-6-3-7-15-27)39-31(43)25-37(51,36(49)50)24-30(42)38-28(34(46)47)16-8-10-22-40(52)32(44)20-18-26-12-4-2-5-13-26/h2-7,12-15,18-21,28-29,51-53H,8-11,16-17,22-25H2,1H3,(H,38,42)(H,39,43)(H,46,47)(H,49,50)/b20-18-,21-19+/t28-,29+,37+/m1/s1

InChIKey: MSIKUOJWOBZEKW-HFAHOHPFSA-N

Reference

Nannochelins A, B and C, new iron-chelating compounds from Nannocystis exedens (myxobacteria). Production, isolation,physico-chemical and biological properties.

PubChem CID: 162887497

LOTUS: LTS0271879

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Nannocystis exedens	Nannocystis	Nannocystaceae	Nannocystales	None	Myxococcota	None	Bacteria

Properties Information

Molecule Weight: 754.7900000000005

TPSA？: 267.39

MolLogP？: 3.693100000000001

Number of H-Donors: 7

Number of H-Acceptors: 11

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi