(3S)-3-azanyl-4-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[4-[(6-methoxy-8-quinolyl)amino]pentylamino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[4-[(6-methoxy-8-quinolinyl)amino]pentylamino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-keto-4-[4-[(6-methoxy-8-quinolyl)amino]pentylamino]butyric acid Formula: C19H26N4O4 MolecularWeight: 374.43414

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCNC(=O)C(CC(=O)O)N)NC1=C2C(=CC(=C1)OC)C=CC=N2

Isomeric SMILES

CC(CCCNC(=O)[C@H](CC(=O)O)N)NC1=C2C(=CC(=C1)OC)C=CC=N2

InChI

InChI=1S/C19H26N4O4/c1-12(5-3-8-22-19(26)15(20)11-17(24)25)23-16-10-14(27-2)9-13-6-4-7-21-18(13)16/h4,6-7,9-10,12,15,23H,3,5,8,11,20H2,1-2H3,(H,22,26)(H,24,25)/t12?,15-/m0/s1