methyl (2R,3S)-3-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]pentanoate

Systemtic Name: methyl (2R,3S)-3-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]pentanoate Openeye Name: methyl (2R,3S)-3-methyl-2-[[4-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]amino]pentanoate CAS Name: (2R,3S)-3-methyl-2-[[[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]pentanoate Traditional Name: (2R,3S)-3-methyl-2-[[4-(4-methylpiperidino)sulfonylbenzoyl]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=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C

InChI

InChI=1S/C20H30N2O5S/c1-5-15(3)18(20(24)27-4)21-19(23)16-6-8-17(9-7-16)28(25,26)22-12-10-14(2)11-13-22/h6-9,14-15,18H,5,10-13H2,1-4H3,(H,21,23)/t15-,18+/m0/s1