2-(2-{[1-(2-amino-3-phenylpropanoyl)pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido)-4-methylpentanamide
AlkaPlorer ID: AK318833
Synonym: None
IUPAC Name: (2R)-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide
Structure
SMILES: CC(C)C[C@H](N=C(O)[C@H](CC1=CNC2=CC=CC=C12)N=C(O)[C@H]1CCCN1C(=O)[C@@H](N)CC1=CC=CC=C1)C(=N)O
InChI: InChI=1S/C31H40N6O4/c1-19(2)15-25(28(33)38)35-29(39)26(17-21-18-34-24-12-7-6-11-22(21)24)36-30(40)27-13-8-14-37(27)31(41)23(32)16-20-9-4-3-5-10-20/h3-7,9-12,18-19,23,25-27,34H,8,13-17,32H2,1-2H3,(H2,33,38)(H,35,39)(H,36,40)/t23-,25-,26-,27+/m0/s1
InChIKey: UPEPKNCUFJAHRM-PGXSJUQOSA-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 |
| Mycoleptodonoides aitchisonii | Mycoleptodonoides | None | Polyporales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 560.6990000000004
TPSA？: 171.38
MolLogP？: 4.502970000000002
Number of H-Donors: 6
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|