6-azanyl-2-[[2-(2-azanylpropanoylamino)-3-phenyl-propanoyl]amino]hexanoic acid; fluoranylmethane

Systemtic Name: 6-azanyl-2-[[2-(2-azanylpropanoylamino)-3-phenyl-propanoyl]amino]hexanoic acid; fluoranylmethane Openeye Name: 6-amino-2-[[2-(2-aminopropanoylamino)-3-phenyl-propanoyl]amino]hexanoic acid; fluoromethane CAS Name: 6-amino-2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxo-3-phenylpropyl]amino]hexanoic acid; fluoromethane IUPAC Name: 6-amino-2-[[2-(2-aminopropanoylamino)-3-phenylpropanoyl]amino]hexanoic acid; fluoromethane Traditional Name: 2-[[2-(alanylamino)-3-phenyl-propanoyl]amino]-6-amino-hexanoic acid; fluoromethane Formula: C19H31FN4O4 MolecularWeight: 398.472243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)N.CF

Isomeric SMILES

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)N.CF

InChI

InChI=1S/C18H28N4O4.CH3F/c1-12(20)16(23)22-15(11-13-7-3-2-4-8-13)17(24)21-14(18(25)26)9-5-6-10-19;1-2/h2-4,7-8,12,14-15H,5-6,9-11,19-20H2,1H3,(H,21,24)(H,22,23)(H,25,26);1H3