None
AlkaPlorer ID: AK324164
Synonym: None
IUPAC Name: (2S)-2-[[(1S)-1-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2S)-4-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid
Structure
SMILES: CC(C)C[C@H](N=C(O)[C@@H](NC(O)=N[C@@H](CC1=CC=CC=C1)C(=O)O)[C@@H]1CCNC(=N)N1)C(O)=NC(C=O)CC1=CC=CC=C1
InChI: InChI=1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22?,23-,24-,25-,26-/m0/s1
InChIKey: MRXDGVXSWIXTQL-IQENKEMDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vateria copallifera | Vateria | Dipterocarpaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 607.7120000000001
TPSA？: 212.08
MolLogP？: 2.578670000000005
Number of H-Donors: 8
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 9800.0 | nM | 10.1021/acs.jnatprod.7b00892 |