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Record Information
Version1.0
Created at2021-01-06 08:57:43 UTC
Updated at2021-07-15 17:43:06 UTC
NP-MRD IDNP0023941
Secondary Accession NumbersNone
Natural Product Identification
Common NameFeldamycin
Provided ByNPAtlasNPAtlas Logo
Description Feldamycin is found in Streptomyces ficellus. It was first documented in 1976 (PMID: 994319). Based on a literature review very few articles have been published on 3-{[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}-2-{[1-hydroxy-3-(1H-imidazol-5-yl)-2-(methylamino)propylidene]amino}butanoic acid.
Structure
Data?1624572227
Synonyms
ValueSource
3-{[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}-2-{[1-hydroxy-3-(1H-imidazol-5-yl)-2-(methylamino)propylidene]amino}butanoateGenerator
FeldamycinMeSH
Chemical FormulaC17H25N7O5
Average Mass407.4310 Da
Monoisotopic Mass407.19172 Da
IUPAC Name(2R,3R)-3-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}-2-[(2R)-3-(1H-imidazol-5-yl)-2-(methylamino)propanamido]butanoic acid
Traditional Name(2R,3R)-3-{[(1S)-1-carboxy-2-(3H-imidazol-4-yl)ethyl]amino}-2-[(2R)-3-(3H-imidazol-4-yl)-2-(methylamino)propanamido]butanoic acid
CAS Registry NumberNot Available
SMILES
CNC(CC1=CN=CN1)C(=O)NC(C(C)NC(CC1=CN=CN1)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C17H25N7O5/c1-9(23-13(16(26)27)4-11-6-20-8-22-11)14(17(28)29)24-15(25)12(18-2)3-10-5-19-7-21-10/h5-9,12-14,18,23H,3-4H2,1-2H3,(H,19,21)(H,20,22)(H,24,25)(H,26,27)(H,28,29)
InChI KeyLUOBEJSTJAVJPL-UHFFFAOYSA-N
Spectra
Spectrum TypeDescriptionDepositor IDDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
Species
Species of Origin
Species NameSourceReference
Streptomyces ficellus
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-1.4ALOGPS
logP-7.6ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)1.36ChemAxon
pKa (Strongest Basic)9.67ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area185.12 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity100.67 m³·mol⁻¹ChemAxon
Polarizability40.41 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID8584552
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10409115
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Argoudelis AD, Reusser F, Whaley HA, Baczynskyj L, Mizsak SA, Wnuk RJ: Antibiotics produced by Streptomyces ficellus. I. Ficellomycin. J Antibiot (Tokyo). 1976 Oct;29(10):1001-6. doi: 10.7164/antibiotics.29.1001. [PubMed:994319 ]