(2S,3S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[[1-(4-acetamidophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[1-(4-acetamidophenyl)sulfonylisonipecotoyl]amino]-3-methyl-valerate Formula: C20H28N3O6S- MolecularWeight: 438.51782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC[C@H](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/c1-4-13(2)18(20(26)27)22-19(25)15-9-11-23(12-10-15)30(28,29)17-7-5-16(6-8-17)21-14(3)24/h5-8,13,15,18H,4,9-12H2,1-3H3,(H,21,24)(H,22,25)(H,26,27)/p-1/t13-,18-/m0/s1