methyl (2S,3S)-3-methyl-2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]pentanoate

Systemtic Name: methyl (2S,3S)-3-methyl-2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]pentanoate Openeye Name: methyl (2S,3S)-3-methyl-2-[[2-methyl-5-(1-piperidylsulfonyl)benzoyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-methyl-2-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]pentanoate Traditional Name: (2S,3S)-3-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-5-14(2)18(20(24)27-4)21-19(23)17-13-16(10-9-15(17)3)28(25,26)22-11-7-6-8-12-22/h9-10,13-14,18H,5-8,11-12H2,1-4H3,(H,21,23)/t14-,18-/m0/s1