S-quinolin-3-yl 5-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)-methyl-amino]pentanethioate

Systemtic Name: S-quinolin-3-yl 5-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)-methyl-amino]pentanethioate Openeye Name: S-(3-quinolyl) 5-amino-2-[(2-amino-3-phenyl-propanoyl)-methyl-amino]pentanethioate CAS Name: 5-amino-2-[(2-amino-1-oxo-3-phenylpropyl)-methylamino]pentanethioic acid S-(3-quinolinyl) ester IUPAC Name: S-quinolin-3-yl 5-amino-2-[(2-amino-3-phenylpropanoyl)-methylamino]pentanethioate Traditional Name: 5-amino-2-[methyl(phenylalanyl)amino]pentanethioic acid S-(3-quinolyl) ester Formula: C24H28N4O2S MolecularWeight: 436.56972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCCN)C(=O)SC1=CC2=CC=CC=C2N=C1)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CN(C(CCCN)C(=O)SC1=CC2=CC=CC=C2N=C1)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C24H28N4O2S/c1-28(23(29)20(26)14-17-8-3-2-4-9-17)22(12-7-13-25)24(30)31-19-15-18-10-5-6-11-21(18)27-16-19/h2-6,8-11,15-16,20,22H,7,12-14,25-26H2,1H3