(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide Openeye Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-N-[4-[(6-methoxy-8-quinolyl)amino]pentyl]hexanamide CAS Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-N-[4-[(6-methoxy-8-quinolinyl)amino]pentyl]hexanamide IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide Traditional Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-N-[4-[(6-methoxy-8-quinolyl)amino]pentyl]hexanamide Formula: C33H54N8O5 MolecularWeight: 642.83246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NCCCC(C)NC1=C2C(=CC(=C1)OC)C=CC=N2)NC(=O)C(C)N

Isomeric SMILES

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

InChI

InChI=1S/C33H54N8O5/c1-20(2)17-28(41-30(42)22(4)35)33(45)39-23(5)31(43)40-26(13-7-8-14-34)32(44)37-16-9-11-21(3)38-27-19-25(46-6)18-24-12-10-15-36-29(24)27/h10,12,15,18-23,26,28,38H,7-9,11,13-14,16-17,34-35H2,1-6H3,(H,37,44)(H,39,45)(H,40,43)(H,41,42)/t21?,22-,23-,26-,28-/m0/s1