S-quinolin-3-yl 5-azanyl-2-[(2-azanyl-4-phenyl-butanoyl)-ethyl-amino]pentanethioate

Systemtic Name: S-quinolin-3-yl 5-azanyl-2-[(2-azanyl-4-phenyl-butanoyl)-ethyl-amino]pentanethioate Openeye Name: S-(3-quinolyl) 5-amino-2-[(2-amino-4-phenyl-butanoyl)-ethyl-amino]pentanethioate CAS Name: 5-amino-2-[(2-amino-1-oxo-4-phenylbutyl)-ethylamino]pentanethioic acid S-(3-quinolinyl) ester IUPAC Name: S-quinolin-3-yl 5-amino-2-[(2-amino-4-phenylbutanoyl)-ethylamino]pentanethioate Traditional Name: 5-amino-2-[(2-amino-4-phenyl-butanoyl)-ethyl-amino]pentanethioic acid S-(3-quinolyl) ester Formula: C26H32N4O2S MolecularWeight: 464.62288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C(CCCN)C(=O)SC1=CC2=CC=CC=C2N=C1)C(=O)C(CCC3=CC=CC=C3)N

Isomeric SMILES

CCN(C(CCCN)C(=O)SC1=CC2=CC=CC=C2N=C1)C(=O)C(CCC3=CC=CC=C3)N

InChI

InChI=1S/C26H32N4O2S/c1-2-30(25(31)22(28)15-14-19-9-4-3-5-10-19)24(13-8-16-27)26(32)33-21-17-20-11-6-7-12-23(20)29-18-21/h3-7,9-12,17-18,22,24H,2,8,13-16,27-28H2,1H3