Hirudonucleodisulfide A; N1,N3-Di-Me, glycinamide
AlkaPlorer ID: AK256734
Synonym: Whitmanine A
IUPAC Name: 2-[(1,3-dimethyl-6-methylsulfanyl-2,4-dioxothieno[3,2-g]pteridine-7-carbonyl)amino]acetic acid
Structure
SMILES: CSC1=C(C(=O)NCC(=O)O)SC2=NC3=C(N=C12)C(=O)N(C)C(=O)N3C
InChI: InChI=1S/C14H13N5O5S2/c1-18-10-7(13(23)19(2)14(18)24)16-6-8(25-3)9(26-12(6)17-10)11(22)15-4-5(20)21/h4H2,1-3H3,(H,15,22)(H,20,21)
InChIKey: AOCWJYGJLSCKBE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Whitmania pigra | Whitmania | Haemopidae | Hirudinida | Clitellata | Annelida | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 395.42200000000014
TPSA？: 136.18
MolLogP？: -0.2218000000000002
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|