(2S)-2-[(2S)-2-(benzylamino)-3-phenylpropanamido]-3-phenylpropyl acetate
AlkaPlorer ID: AK119292
Synonym: None
IUPAC Name: [(2S)-2-[[(2S)-2-(benzylamino)-3-phenylpropanoyl]amino]-3-phenylpropyl] acetate
Structure
SMILES: CC(=O)OC[C@H](CC1=CC=CC=C1)N=C(O)[C@H](CC1=CC=CC=C1)NCC1=CC=CC=C1
InChI: InChI=1S/C27H30N2O3/c1-21(30)32-20-25(17-22-11-5-2-6-12-22)29-27(31)26(18-23-13-7-3-8-14-23)28-19-24-15-9-4-10-16-24/h2-16,25-26,28H,17-20H2,1H3,(H,29,31)/t25-,26-/m0/s1
InChIKey: GGLFANNWLBOLJZ-UIOOFZCWSA-N
Reference
New Neolignans from Spiraea formosana
PubChem CID: 162924031
LOTUS: LTS0033306
SuperNatural Ⅲ: SN0105077-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Spiraea formosana | Spiraea | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 430.5480000000001
TPSA？: 70.92
MolLogP？: 4.518400000000003
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|