Compound Summary
Compound Information
MDL 28170
Compound Name: | MDL 28170 |
Compound CID: | 72430 |
Synonyms: | MDL 28170 |
Iupac Name: | benzyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]carbamate |
InChI: | InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1 |
InChIKey: | NGBKFLTYGSREKK-PMACEKPBSA-N |
Canonical Smiles: | CC(C)C(C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)OCC2=CC=CC=C2 |
Isomeric Smiles: | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C=O)NC(=O)OCC2=CC=CC=C2 |
Molecular Weight: | 382.5 |
Molecular Formula: | C22H26N2O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
MDL 28170
Molecular Weight: | 382.5 |
Molecular Formula: | C22H26N2O4 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 10 |
Heavy Atom Count: | 28 |
Complexity: | 497 |
Synonyms
MDL 28170
Experimental Data
MDL 28170
Experimental Data Visualization
MDL 28170
Statistics Data
MDL 28170
Statistics Data Visualization
MDL 28170
