methyl (2S)-2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-4-methyl-valeric acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C32

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C32

InChI

InChI=1S/C23H28N2O5S/c1-16(2)15-20(23(27)30-3)24-22(26)18-10-12-19(13-11-18)31(28,29)25-14-6-8-17-7-4-5-9-21(17)25/h4-5,7,9-13,16,20H,6,8,14-15H2,1-3H3,(H,24,26)/t20-/m0/s1