methyl (2R,3S)-3-methyl-2-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]pentanoate

Systemtic Name: methyl (2R,3S)-3-methyl-2-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]pentanoate Openeye Name: methyl (2R,3S)-3-methyl-2-[[2-[5-(1-piperidylsulfonyl)-2-thienyl]acetyl]amino]pentanoate CAS Name: (2R,3S)-3-methyl-2-[[1-oxo-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-methyl-2-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]pentanoate Traditional Name: (2R,3S)-3-methyl-2-[[2-(5-piperidinosulfonyl-2-thienyl)acetyl]amino]valeric acid methyl ester Formula: C18H28N2O5S2 MolecularWeight: 416.55532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CC1=CC=C(S1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)CC1=CC=C(S1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H28N2O5S2/c1-4-13(2)17(18(22)25-3)19-15(21)12-14-8-9-16(26-14)27(23,24)20-10-6-5-7-11-20/h8-9,13,17H,4-7,10-12H2,1-3H3,(H,19,21)/t13-,17+/m0/s1