Molecule

Nocardimicin E

AlkaPlorer ID: AK054305

Synonym: '(-)-Nocardimicin E', 'Nocardimicin E'

IUPAC Name: [(2R,3S)-2-methyl-1-oxo-1-[[(3R)-2-oxoazepan-3-yl]amino]hexadecan-3-yl] (2S)-6-[acetyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-1,3-oxazole-4-carbonyl]amino]hexanoate

Structure

SMILES: CCCCCCCCCCCCC[C@H](OC(=O)[C@H](CCCCN(O)C(C)=O)N=C(O)C1=COC(C2=CC=CC=C2O)=N1)[C@@H](C)C(O)=N[C@@H]1CCCCN=C1O

InChI: InChI=1S/C41H63N5O9/c1-4-5-6-7-8-9-10-11-12-13-14-25-36(29(2)37(49)43-32-22-17-19-26-42-38(32)50)55-41(52)33(23-18-20-27-46(53)30(3)47)44-39(51)34-28-54-40(45-34)31-21-15-16-24-35(31)48/h15-16,21,24,28-29,32-33,36,48,53H,4-14,17-20,22-23,25-27H2,1-3H3,(H,42,50)(H,43,49)(H,44,51)/t29-,32-,33+,36+/m1/s1

InChIKey: PIFYJYLXAXDUEB-WJNZDJKHSA-N

Reference

Nocardimicins A, B, C, D, E, and F, Siderophores with Muscarinic M3 Receptor Inhibiting Activity from <i>Nocardia</i> sp. TP-A0674

PubChem CID: 162878483

LOTUS: LTS0272563

SuperNatural Ⅲ: SN0286146-02

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	None	Nocardiaceae	Mycobacteriales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 769.981

TPSA？: 210.87

MolLogP？: 8.842900000000006

Number of H-Donors: 5

Number of H-Acceptors: 10

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi