methyl (2R)-4-methyl-2-[2-[2-(3-phenylpropanoylamino)ethanoylamino]ethanoylamino]pentanoate

Systemtic Name: methyl (2R)-4-methyl-2-[2-[2-(3-phenylpropanoylamino)ethanoylamino]ethanoylamino]pentanoate Openeye Name: methyl (2R)-4-methyl-2-[[2-[[2-(3-phenylpropanoylamino)acetyl]amino]acetyl]amino]pentanoate CAS Name: (2R)-4-methyl-2-[[1-oxo-2-[[1-oxo-2-[(1-oxo-3-phenylpropyl)amino]ethyl]amino]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R)-4-methyl-2-[[2-[[2-(3-phenylpropanoylamino)acetyl]amino]acetyl]amino]pentanoate Traditional Name: (2R)-2-[[2-[[2-(hydrocinnamoylamino)acetyl]amino]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C20H29N3O5 MolecularWeight: 391.46136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CNC(=O)CNC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CNC(=O)CNC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C20H29N3O5/c1-14(2)11-16(20(27)28-3)23-19(26)13-22-18(25)12-21-17(24)10-9-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)/t16-/m1/s1