(2S)-2-[4-[(4-chlorophenyl)carbonyl-cyclooctyl-amino]butanoylamino]propanoic acid

Systemtic Name: (2S)-2-[4-[(4-chlorophenyl)carbonyl-cyclooctyl-amino]butanoylamino]propanoic acid Openeye Name: (2S)-2-[4-[(4-chlorobenzoyl)-cyclooctyl-amino]butanoylamino]propanoic acid CAS Name: (2S)-2-[[4-[[(4-chlorophenyl)-oxomethyl]-cyclooctylamino]-1-oxobutyl]amino]propanoic acid IUPAC Name: (2S)-2-[4-[(4-chlorobenzoyl)-cyclooctylamino]butanoylamino]propanoic acid Traditional Name: (2S)-2-[4-[(4-chlorobenzoyl)-cyclooctyl-amino]butanoylamino]propionic acid Formula: C22H31ClN2O4 MolecularWeight: 422.94554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCCN(C1CCCCCCC1)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)CCCN(C1CCCCCCC1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H31ClN2O4/c1-16(22(28)29)24-20(26)10-7-15-25(19-8-5-3-2-4-6-9-19)21(27)17-11-13-18(23)14-12-17/h11-14,16,19H,2-10,15H2,1H3,(H,24,26)(H,28,29)/t16-/m0/s1