(2S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[1-(4-acetamidophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylisonipecotoyl]amino]-4-methyl-valeric acid Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C20H29N3O6S/c1-13(2)12-18(20(26)27)22-19(25)15-8-10-23(11-9-15)30(28,29)17-6-4-16(5-7-17)21-14(3)24/h4-7,13,15,18H,8-12H2,1-3H3,(H,21,24)(H,22,25)(H,26,27)/t18-/m0/s1