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

Systemtic Name: 5-azanyl-2-[[2-azanyl-3-(4-iodophenyl)propanoyl]amino]pentanoic acid; quinoline-3-carboxamide Openeye Name: 5-amino-2-[[2-amino-3-(4-iodophenyl)propanoyl]amino]pentanoic acid; quinoline-3-carboxamide CAS Name: 5-amino-2-[[2-amino-3-(4-iodophenyl)-1-oxopropyl]amino]pentanoic acid; 3-quinolinecarboxamide IUPAC Name: 5-amino-2-[[2-amino-3-(4-iodophenyl)propanoyl]amino]pentanoic acid; quinoline-3-carboxamide Traditional Name: 5-amino-2-[[2-amino-3-(4-iodophenyl)propanoyl]amino]valeric acid; quinoline-3-carboxamide Formula: C24H28IN5O4 MolecularWeight: 577.41469

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)C(=O)N.C1=CC(=CC=C1CC(C(=O)NC(CCCN)C(=O)O)N)I

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)C(=O)N.C1=CC(=CC=C1CC(C(=O)NC(CCCN)C(=O)O)N)I

InChI

InChI=1S/C14H20IN3O3.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)8-5-7-3-1-2-4-9(7)12-6-8/h3-6,11-12H,1-2,7-8,16-17H2,(H,18,19)(H,20,21);1-6H,(H2,11,13)