(2S)-6-(2-azanylethanoylamino)-2-[(4-chlorophenyl)carbonylamino]hexanoic acid

Systemtic Name: (2S)-6-(2-azanylethanoylamino)-2-[(4-chlorophenyl)carbonylamino]hexanoic acid Openeye Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(4-chlorobenzoyl)amino]hexanoic acid CAS Name: (2S)-6-[(2-amino-1-oxoethyl)amino]-2-[[(4-chlorophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(4-chlorobenzoyl)amino]hexanoic acid Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-6-(glycylamino)hexanoic acid Formula: C15H20ClN3O4 MolecularWeight: 341.79

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCCCNC(=O)CN)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CCCCNC(=O)CN)C(=O)O)Cl

InChI

InChI=1S/C15H20ClN3O4/c16-11-6-4-10(5-7-11)14(21)19-12(15(22)23)3-1-2-8-18-13(20)9-17/h4-7,12H,1-3,8-9,17H2,(H,18,20)(H,19,21)(H,22,23)/t12-/m0/s1