methyl 4-methyl-2-[[2-methyl-5-[[4-methyl-2-(quinolin-8-ylcarbonylamino)pentanoyl]amino]-6-oxidanylidene-azepan-1-yl]carbonylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[[2-methyl-5-[[4-methyl-2-(quinolin-8-ylcarbonylamino)pentanoyl]amino]-6-oxidanylidene-azepan-1-yl]carbonylamino]pentanoate Openeye Name: methyl 4-methyl-2-[[2-methyl-5-[[4-methyl-2-(quinoline-8-carbonylamino)pentanoyl]amino]-6-oxo-azepane-1-carbonyl]amino]pentanoate CAS Name: 4-methyl-2-[[[2-methyl-5-[[4-methyl-1-oxo-2-[[oxo(8-quinolinyl)methyl]amino]pentyl]amino]-6-oxo-1-azepanyl]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[2-methyl-5-[[4-methyl-2-(quinoline-8-carbonylamino)pentanoyl]amino]-6-oxoazepane-1-carbonyl]amino]pentanoate Traditional Name: 2-[[6-keto-2-methyl-5-[[4-methyl-2-(quinoline-8-carbonylamino)pentanoyl]amino]azepane-1-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C31H43N5O6 MolecularWeight: 581.70302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)CN1C(=O)NC(CC(C)C)C(=O)OC)NC(=O)C(CC(C)C)NC(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC1CCC(C(=O)CN1C(=O)NC(CC(C)C)C(=O)OC)NC(=O)C(CC(C)C)NC(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C31H43N5O6/c1-18(2)15-24(34-28(38)22-11-7-9-21-10-8-14-32-27(21)22)29(39)33-23-13-12-20(5)36(17-26(23)37)31(41)35-25(16-19(3)4)30(40)42-6/h7-11,14,18-20,23-25H,12-13,15-17H2,1-6H3,(H,33,39)(H,34,38)(H,35,41)