(2S)-2-(2-azanylethanoylamino)-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-(2-azanylethanoylamino)-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-3-phenyl-propanamide Openeye Name: (2S)-2-[(2-aminoacetyl)amino]-N-[4-[(6-methoxy-8-quinolyl)amino]pentyl]-3-phenyl-propanamide CAS Name: (2S)-2-[(2-amino-1-oxoethyl)amino]-N-[4-[(6-methoxy-8-quinolinyl)amino]pentyl]-3-phenylpropanamide IUPAC Name: (2S)-2-[(2-aminoacetyl)amino]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-3-phenylpropanamide Traditional Name: (2S)-2-(glycylamino)-N-[4-[(6-methoxy-8-quinolyl)amino]pentyl]-3-phenyl-propionamide Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCNC(=O)C(CC1=CC=CC=C1)NC(=O)CN)NC2=C3C(=CC(=C2)OC)C=CC=N3

Isomeric SMILES

CC(CCCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN)NC2=C3C(=CC(=C2)OC)C=CC=N3

InChI

InChI=1S/C26H33N5O3/c1-18(30-22-16-21(34-2)15-20-11-7-12-28-25(20)22)8-6-13-29-26(33)23(31-24(32)17-27)14-19-9-4-3-5-10-19/h3-5,7,9-12,15-16,18,23,30H,6,8,13-14,17,27H2,1-2H3,(H,29,33)(H,31,32)/t18?,23-/m0/s1