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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCCN)C(=O)SC1=NC2=CC=CC=C2C=C1)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CN(C(CCCN)C(=O)SC1=NC2=CC=CC=C2C=C1)C(=O)C(CC3=CC=CC=C3)N

InChI

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