methyl (2S)-2-(6-acetamidohexanoylamino)-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-(6-acetamidohexanoylamino)-3-phenyl-propanoate Openeye Name: methyl (2S)-2-(6-acetamidohexanoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[(6-acetamido-1-oxohexyl)amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(6-acetamidohexanoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(6-acetamidohexanoylamino)-3-phenyl-propionic acid methyl ester Formula: C18H26N2O4 MolecularWeight: 334.41004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(=O)NCCCCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C18H26N2O4/c1-14(21)19-12-8-4-7-11-17(22)20-16(18(23)24-2)13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,4,7-8,11-13H2,1-2H3,(H,19,21)(H,20,22)/t16-/m0/s1