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

Systemtic Name: (2S)-2-(2-azanylethanoylamino)-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide Openeye Name: (2S)-2-[(2-aminoacetyl)amino]-N-[4-[(6-methoxy-8-quinolyl)amino]pentyl]propanamide CAS Name: (2S)-2-[(2-amino-1-oxoethyl)amino]-N-[4-[(6-methoxy-8-quinolinyl)amino]pentyl]propanamide IUPAC Name: (2S)-2-[(2-aminoacetyl)amino]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide Traditional Name: (2S)-2-(glycylamino)-N-[4-[(6-methoxy-8-quinolyl)amino]pentyl]propionamide Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NCCCC(C)NC1=C2C(=CC(=C1)OC)C=CC=N2)NC(=O)CN

InChI

InChI=1S/C20H29N5O3/c1-13(6-4-9-23-20(27)14(2)25-18(26)12-21)24-17-11-16(28-3)10-15-7-5-8-22-19(15)17/h5,7-8,10-11,13-14,24H,4,6,9,12,21H2,1-3H3,(H,23,27)(H,25,26)/t13?,14-/m0/s1