ethyl 2-[[2-[(2-benzamido-3-quinolin-5-yl-propanoyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-6-methyl-2-oxidanyl-heptanoate

Systemtic Name: ethyl 2-[[2-[(2-benzamido-3-quinolin-5-yl-propanoyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-6-methyl-2-oxidanyl-heptanoate Openeye Name: ethyl 2-[[2-[[2-benzamido-3-(5-quinolyl)propanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-2-hydroxy-6-methyl-heptanoate CAS Name: 2-[[2-[[2-benzamido-1-oxo-3-(5-quinolinyl)propyl]amino]-3-(4H-imidazol-4-yl)-1-oxopropyl]amino]-2-hydroxy-6-methylheptanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2-benzamido-3-quinolin-5-ylpropanoyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-2-hydroxy-6-methylheptanoate Traditional Name: 2-[[2-[[2-benzamido-3-(5-quinolyl)propanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-2-hydroxy-6-methyl-enanthic acid ethyl ester Formula: C35H42N6O6 MolecularWeight: 642.74458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC(C)C)(NC(=O)C(CC1C=NC=N1)NC(=O)C(CC2=C3C=CC=NC3=CC=C2)NC(=O)C4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)C(CCCC(C)C)(NC(=O)C(CC1C=NC=N1)NC(=O)C(CC2=C3C=CC=NC3=CC=C2)NC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C35H42N6O6/c1-4-47-34(45)35(46,17-9-11-23(2)3)41-33(44)30(20-26-21-36-22-38-26)40-32(43)29(39-31(42)24-12-6-5-7-13-24)19-25-14-8-16-28-27(25)15-10-18-37-28/h5-8,10,12-16,18,21-23,26,29-30,46H,4,9,11,17,19-20H2,1-3H3,(H,39,42)(H,40,43)(H,41,44)