methyl (2S)-4-methyl-2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[[2-methyl-5-(1-piperidylsulfonyl)benzoyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]pentanoate Traditional Name: (2S)-4-methyl-2-[(2-methyl-5-piperidinosulfonyl-benzoyl)amino]valeric acid methyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N[C@@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C20H30N2O5S/c1-14(2)12-18(20(24)27-4)21-19(23)17-13-16(9-8-15(17)3)28(25,26)22-10-6-5-7-11-22/h8-9,13-14,18H,5-7,10-12H2,1-4H3,(H,21,23)/t18-/m0/s1