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

Systemtic Name: (2S)-2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbonylamino]-4-methyl-pentanoate Openeye Name: (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-methylpentanoate IUPAC Name: (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-valerate Formula: C22H25N2O5S- MolecularWeight: 429.5093

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C32

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-15(2)14-19(22(26)27)23-21(25)17-9-11-18(12-10-17)30(28,29)24-13-5-7-16-6-3-4-8-20(16)24/h3-4,6,8-12,15,19H,5,7,13-14H2,1-2H3,(H,23,25)(H,26,27)/p-1/t19-/m0/s1