α,α',2-Triamino-γ,γ',3-trioxo-3H-phenoxazine-1,9-dibutanoic acid
AlkaPlorer ID: AK316264
Synonym: None
IUPAC Name: 2-amino-4-[8-amino-9-(3-amino-3-carboxypropanoyl)-7-oxophenoxazin-1-yl]-4-oxobutanoic acid
Structure
SMILES: NC1=C(C(=O)CC(N)C(=O)O)C2=NC3=C(C=CC=C3C(=O)CC(N)C(=O)O)OC2=CC1=O
InChI: InChI=1S/C20H18N4O8/c21-8(19(28)29)4-10(25)7-2-1-3-13-17(7)24-18-14(32-13)6-12(27)16(23)15(18)11(26)5-9(22)20(30)31/h1-3,6,8-9H,4-5,21-23H2,(H,28,29)(H,30,31)
InChIKey: NUMPPXZLCVGTEA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sepia officinalis | Sepia | Sepiidae | Sepiida | Cephalopoda | Mollusca | Metazoa | Eukaryota |
| Loligo vulgaris | Loligo | Loliginidae | Myopsida | Cephalopoda | Mollusca | Metazoa | Eukaryota |
| Octopus vulgaris | Octopus | Octopodidae | Octopoda | Cephalopoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 442.3840000000003
TPSA？: 229.9
MolLogP？: -0.1555999999999995
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|