(4S)-4-[(2S)-2-amino-3-methylbutanamido]-4-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid
AlkaPlorer ID: AK082259
Synonym: None
IUPAC Name: (4S)-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
Structure
SMILES: CC(C)[C@H](N)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC1=CC=CC=C1)C(O)=N[C@@H](CC1=CC=CC=C1)C(O)=N[C@H](C(=O)O)[C@@H](C)O
InChI: InChI=1S/C32H43N5O9/c1-18(2)26(33)31(44)34-22(14-15-25(39)40)28(41)35-23(16-20-10-6-4-7-11-20)29(42)36-24(17-21-12-8-5-9-13-21)30(43)37-27(19(3)38)32(45)46/h4-13,18-19,22-24,26-27,38H,14-17,33H2,1-3H3,(H,34,44)(H,35,41)(H,36,42)(H,37,43)(H,39,40)(H,45,46)/t19-,22+,23+,24+,26+,27+/m1/s1
InChIKey: XQJAFXFPOWTGRF-HTXJHOJESA-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: 641.7220000000003
TPSA？: 251.20999999999992
MolLogP？: 3.085700000000003
Number of H-Donors: 8
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|