5-azanyl-2-[(2-azanyl-4-phenyl-butanoyl)amino]pentanoic acid; isoquinoline-5-carboxamide

Systemtic Name: 5-azanyl-2-[(2-azanyl-4-phenyl-butanoyl)amino]pentanoic acid; isoquinoline-5-carboxamide Openeye Name: 5-amino-2-[(2-amino-4-phenyl-butanoyl)amino]pentanoic acid; isoquinoline-5-carboxamide CAS Name: 5-amino-2-[(2-amino-1-oxo-4-phenylbutyl)amino]pentanoic acid; 5-isoquinolinecarboxamide IUPAC Name: 5-amino-2-[(2-amino-4-phenylbutanoyl)amino]pentanoic acid; isoquinoline-5-carboxamide Traditional Name: 5-amino-2-[(2-amino-4-phenyl-butanoyl)amino]valeric acid; isoquinoline-5-carboxamide Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)NC(CCCN)C(=O)O)N.C1=CC2=C(C=CN=C2)C(=C1)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)NC(CCCN)C(=O)O)N.C1=CC2=C(C=CN=C2)C(=C1)C(=O)N

InChI

InChI=1S/C15H23N3O3.C10H8N2O/c16-10-4-7-13(15(20)21)18-14(19)12(17)9-8-11-5-2-1-3-6-11;11-10(13)9-3-1-2-7-6-12-5-4-8(7)9/h1-3,5-6,12-13H,4,7-10,16-17H2,(H,18,19)(H,20,21);1-6H,(H2,11,13)