2-(2-amino-3-phenylpropanamido)-N-{1-[(1-{[1-carbamoyl-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-2-methylpropyl)carbamoyl]-2-hydroxypropyl}-3-methylpentanamide
AlkaPlorer ID: AK318405
Synonym: None
IUPAC Name: (2S,3S)-N-[(2S,3R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylpentanamide
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@@H](N)CC1=CC=CC=C1)C(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@@H](CC1=CN=CN1)C(=N)O)C(C)C)[C@@H](C)O
InChI: InChI=1S/C30H46N8O6/c1-6-17(4)24(37-27(41)21(31)12-19-10-8-7-9-11-19)29(43)38-25(18(5)39)30(44)36-23(16(2)3)28(42)35-22(26(32)40)13-20-14-33-15-34-20/h7-11,14-18,21-25,39H,6,12-13,31H2,1-5H3,(H2,32,40)(H,33,34)(H,35,42)(H,36,44)(H,37,41)(H,38,43)/t17-,18+,21-,22-,23-,24-,25-/m0/s1
InChIKey: FSHFRTOOSOEXRR-UPUZMWPMSA-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: 614.7480000000002
TPSA？: 249.36999999999995
MolLogP？: 3.440770000000004
Number of H-Donors: 9
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|