2-azanylpropanoyl 1-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylate

Systemtic Name: 2-azanylpropanoyl 1-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylate Openeye Name: 2-aminopropanoyl 1-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentanecarboxylate CAS Name: 1-[[2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-cyclopentanecarboxylic acid (2-amino-1-oxopropyl) ester IUPAC Name: 2-aminopropanoyl 1-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylate Traditional Name: 1-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentanecarboxylic acid alanyl ester Formula: C20H27N3O6 MolecularWeight: 405.44488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(=O)C1(CCCC1)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C)N

Isomeric SMILES

CC(C(=O)OC(=O)C1(CCCC1)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C)N

InChI

InChI=1S/C20H27N3O6/c1-12(21)18(27)29-19(28)20(9-3-4-10-20)23-17(26)16(22-13(2)24)11-14-5-7-15(25)8-6-14/h5-8,12,16,25H,3-4,9-11,21H2,1-2H3,(H,22,24)(H,23,26)