2-[(1-{2-[2-(2-amino-3-phenylpropanamido)-3-methylbutanamido]-3-(1H-imidazol-5-yl)propanoyl}pyrrolidin-2-yl)formamido]-4-(methylsulfanyl)butanoic acid
AlkaPlorer ID: AK319216
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid
Structure
SMILES: CSCC[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1)N=C(O)[C@@H](N=C(O)[C@@H](N)CC1=CC=CC=C1)C(C)C)C(=O)O
InChI: InChI=1S/C30H43N7O6S/c1-18(2)25(36-26(38)21(31)14-19-8-5-4-6-9-19)28(40)35-23(15-20-16-32-17-33-20)29(41)37-12-7-10-24(37)27(39)34-22(30(42)43)11-13-44-3/h4-6,8-9,16-18,21-25H,7,10-15,31H2,1-3H3,(H,32,33)(H,34,39)(H,35,40)(H,36,38)(H,42,43)/t21-,22-,23-,24-,25-/m0/s1
InChIKey: KAGLXKGYCVVGHA-KEOOTSPTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rohdea chinensis | Rohdea | Asparagaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Crossopetalum gaumeri | Crossopetalum | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 629.7840000000002
TPSA？: 210.08
MolLogP？: 2.9822000000000024
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|