1-(2-{[1-(2-amino-3-phenylpropanoyl)pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoyl)pyrrolidine-2-carboxamide
AlkaPlorer ID: AK318983
Synonym: None
IUPAC Name: (2R)-1-[(2S)-2-amino-3-phenylpropanoyl]-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Structure
SMILES: N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CNC2=CC=CC=C12)N=C(O)[C@H]1CCCN1C(=O)[C@@H](N)CC1=CC=CC=C1
InChI: InChI=1S/C30H36N6O4/c31-22(16-19-8-2-1-3-9-19)29(39)36-15-7-13-26(36)28(38)34-24(30(40)35-14-6-12-25(35)27(32)37)17-20-18-33-23-11-5-4-10-21(20)23/h1-5,8-11,18,22,24-26,33H,6-7,12-17,31H2,(H2,32,37)(H,34,38)/t22-,24-,25-,26+/m0/s1
InChIKey: PWIWCVBUQJLBEK-ZCLKUGBOSA-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: 544.6560000000004
TPSA?: 159.10000000000002
MolLogP?: 3.122770000000001
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|
