4-methyl-2-[[2-methyl-5-[[4-methyl-2-(quinolin-8-ylcarbonylamino)pentanoyl]amino]-6-oxidanyl-azepan-1-yl]carbonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[[2-methyl-5-[[4-methyl-2-(quinolin-8-ylcarbonylamino)pentanoyl]amino]-6-oxidanyl-azepan-1-yl]carbonylamino]pentanoic acid Openeye Name: 2-[[6-hydroxy-2-methyl-5-[[4-methyl-2-(quinoline-8-carbonylamino)pentanoyl]amino]azepane-1-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[6-hydroxy-2-methyl-5-[[4-methyl-1-oxo-2-[[oxo(8-quinolinyl)methyl]amino]pentyl]amino]-1-azepanyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[6-hydroxy-2-methyl-5-[[4-methyl-2-(quinoline-8-carbonylamino)pentanoyl]amino]azepane-1-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[6-hydroxy-2-methyl-5-[[4-methyl-2-(quinoline-8-carbonylamino)pentanoyl]amino]azepane-1-carbonyl]amino]-4-methyl-valeric acid Formula: C30H43N5O6 MolecularWeight: 569.69232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43N5O6/c1-17(2)14-23(33-27(37)21-10-6-8-20-9-7-13-31-26(20)21)28(38)32-22-12-11-19(5)35(16-25(22)36)30(41)34-24(29(39)40)15-18(3)4/h6-10,13,17-19,22-25,36H,11-12,14-16H2,1-5H3,(H,32,38)(H,33,37)(H,34,41)(H,39,40)