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

Systemtic Name: (2S)-2-(2-azanylethanoylamino)-6-[(4-fluorophenyl)carbonylamino]hexanoic acid Openeye Name: (2S)-2-[(2-aminoacetyl)amino]-6-[(4-fluorobenzoyl)amino]hexanoic acid CAS Name: (2S)-2-[(2-amino-1-oxoethyl)amino]-6-[[(4-fluorophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-2-[(2-aminoacetyl)amino]-6-[(4-fluorobenzoyl)amino]hexanoic acid Traditional Name: (2S)-6-[(4-fluorobenzoyl)amino]-2-(glycylamino)hexanoic acid Formula: C15H20FN3O4 MolecularWeight: 325.335403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCCC(C(=O)O)NC(=O)CN)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)CN)F

InChI

InChI=1S/C15H20FN3O4/c16-11-6-4-10(5-7-11)14(21)18-8-2-1-3-12(15(22)23)19-13(20)9-17/h4-7,12H,1-3,8-9,17H2,(H,18,21)(H,19,20)(H,22,23)/t12-/m0/s1