Molecule

(2S,3S,6R)-3-[(3S)-3-amino-5-(1-methylcarbamimidamido)pentanamido]-6-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid

AlkaPlorer ID: AK254055

Synonym: None

IUPAC Name: (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid

Structure

SMILES: CN(CC[C@H](N)CC(O)=N[C@H]1C=C[C@H](N2C=C(F)C(=N)N=C2O)O[C@@H]1C(=O)O)C(=N)N

InChI: InChI=1S/C17H25FN8O5/c1-25(16(21)22)5-4-8(19)6-11(27)23-10-2-3-12(31-13(10)15(28)29)26-7-9(18)14(20)24-17(26)30/h2-3,7-8,10,12-13H,4-6,19H2,1H3,(H3,21,22)(H,23,27)(H,28,29)(H2,20,24,30)/t8-,10-,12+,13-/m0/s1

InChIKey: GWLMNHVGZNODLR-ZDAZMGEQSA-N

Reference

Structure of a New Anthracycline, Cinerubin Y, Produced by a Blocked Mutant of<i>Streptomyces violaceochromogenes</i>Transformed by pIJ702

PubChem CID: 13556539

LOTUS: LTS0011366

SuperNatural Ⅲ: SN0117179-01

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces griseochromogenes	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 440.4360000000002

TPSA？: 220.15

MolLogP？: -0.9966599999999964

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi