Matlystatin D

AlkaPlorer ID: AK305301

Synonym: None

IUPAC Name: 3-[2-methyl-1-[[2-[2-[2-(oxidoamino)-2-oxoethyl]heptanoyl]diazinane-3-carbonyl]amino]butyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-9-ium-5-carboxylic acid

Structure

SMILES: CCCCCC(CC(O)=N[O-])C(=O)N1NCCCC1C(O)=NC(C1=[N+]2C(C(=O)O)CCCN2C=C1)C(C)CC

copy

InChI: InChI=1S/C27H44N6O6/c1-4-6-7-10-19(17-23(34)30-39)26(36)32-21(11-8-14-28-32)25(35)29-24(18(3)5-2)20-13-16-31-15-9-12-22(27(37)38)33(20)31/h13,16,18-19,21-22,24,28H,4-12,14-15,17H2,1-3H3,(H3-,29,30,34,35,37,38,39)

copy

InChIKey: ZWXPBQLKZALQOQ-UHFFFAOYSA-N

copy

Properties Information

Molecule Weight: 548.6850000000002

TPSA: 166.69

MolLogP: 3.775300000000003

Number of H-Donors: 4

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information