5-azanyl-2-[[2-azanyl-3-(4-fluorophenyl)propanoyl]amino]pentanoic acid; quinoline-8-carboxamide

Systemtic Name: 5-azanyl-2-[[2-azanyl-3-(4-fluorophenyl)propanoyl]amino]pentanoic acid; quinoline-8-carboxamide Openeye Name: 5-amino-2-[[2-amino-3-(4-fluorophenyl)propanoyl]amino]pentanoic acid; quinoline-8-carboxamide CAS Name: 5-amino-2-[[2-amino-3-(4-fluorophenyl)-1-oxopropyl]amino]pentanoic acid; 8-quinolinecarboxamide IUPAC Name: 5-amino-2-[[2-amino-3-(4-fluorophenyl)propanoyl]amino]pentanoic acid; quinoline-8-carboxamide Traditional Name: 5-amino-2-[[2-amino-3-(4-fluorophenyl)propanoyl]amino]valeric acid; quinoline-8-carboxamide Formula: C24H28FN5O4 MolecularWeight: 469.508623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)N)N=CC=C2.C1=CC(=CC=C1CC(C(=O)NC(CCCN)C(=O)O)N)F

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)N)N=CC=C2.C1=CC(=CC=C1CC(C(=O)NC(CCCN)C(=O)O)N)F

InChI

InChI=1S/C14H20FN3O3.C10H8N2O/c15-10-5-3-9(4-6-10)8-11(17)13(19)18-12(14(20)21)2-1-7-16;11-10(13)8-5-1-3-7-4-2-6-12-9(7)8/h3-6,11-12H,1-2,7-8,16-17H2,(H,18,19)(H,20,21);1-6H,(H2,11,13)