(3S,4E)-3-({[(1R)-2-carboxy-1-{[(3R)-2-oxoazepan-3-yl]carbamoyl}ethyl]carbamoyl}methyl)oct-4-enoic acid
AlkaPlorer ID: AK404444
Synonym: None
IUPAC Name: (E)-3-[2-[[(2S)-3-carboxy-1-oxo-1-[(2-oxoazepan-3-yl)amino]propan-2-yl]amino]-2-oxoethyl]oct-4-enoic acid
Structure
SMILES: CCC/C=C/C(CC(=O)O)CC(O)=N[C@@H](CC(=O)O)C(O)=NC1CCCCN=C1O
InChI: InChI=1S/C20H31N3O7/c1-2-3-4-7-13(11-17(25)26)10-16(24)22-15(12-18(27)28)20(30)23-14-8-5-6-9-21-19(14)29/h4,7,13-15H,2-3,5-6,8-12H2,1H3,(H,21,29)(H,22,24)(H,23,30)(H,25,26)(H,27,28)/b7-4+/t13?,14?,15-/m0/s1
InChIKey: HTZFGINZWSIHOB-UOWNZQPMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Periconia circinata | Periconia | Periconiaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 425.4820000000002
TPSA？: 172.37000000000003
MolLogP？: 3.0890000000000013
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|