2-[2,6-bis(azanyl)hexanoyl-quinolin-3-yl-amino]-3-phenyl-propanethioic S-acid

Systemtic Name: 2-[2,6-bis(azanyl)hexanoyl-quinolin-3-yl-amino]-3-phenyl-propanethioic S-acid Openeye Name: 2-[2,6-diaminohexanoyl(3-quinolyl)amino]-3-phenyl-propanethioic S-acid CAS Name: 2-[(2,6-diamino-1-oxohexyl)-(3-quinolinyl)amino]-3-phenylpropanethioic S-acid IUPAC Name: 2-[2,6-diaminohexanoyl(quinolin-3-yl)amino]-3-phenylpropanethioic S-acid Traditional Name: 2-[2,6-diaminohexanoyl(3-quinolyl)amino]-3-phenyl-thiopropionic acid Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)S)N(C2=CC3=CC=CC=C3N=C2)C(=O)C(CCCCN)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)S)N(C2=CC3=CC=CC=C3N=C2)C(=O)C(CCCCN)N

InChI

InChI=1S/C24H28N4O2S/c25-13-7-6-11-20(26)23(29)28(19-15-18-10-4-5-12-21(18)27-16-19)22(24(30)31)14-17-8-2-1-3-9-17/h1-5,8-10,12,15-16,20,22H,6-7,11,13-14,25-26H2,(H,30,31)