(2S)-6-(2-azanylethanoylamino)-2-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]hexanoic acid

Systemtic Name: (2S)-6-(2-azanylethanoylamino)-2-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]hexanoic acid Openeye Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(3-fluoro-4-methyl-benzoyl)amino]hexanoic acid CAS Name: (2S)-6-[(2-amino-1-oxoethyl)amino]-2-[[(3-fluoro-4-methylphenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid Traditional Name: (2S)-2-[(3-fluoro-4-methyl-benzoyl)amino]-6-(glycylamino)hexanoic acid Formula: C16H22FN3O4 MolecularWeight: 339.361983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CCCCNC(=O)CN)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@@H](CCCCNC(=O)CN)C(=O)O)F

InChI

InChI=1S/C16H22FN3O4/c1-10-5-6-11(8-12(10)17)15(22)20-13(16(23)24)4-2-3-7-19-14(21)9-18/h5-6,8,13H,2-4,7,9,18H2,1H3,(H,19,21)(H,20,22)(H,23,24)/t13-/m0/s1