methyl (2S)-2-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[methyl(2-thienylsulfonyl)amino]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[methyl(2-thienylsulfonyl)amino]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC(CC1=CC=CC=C1)C(=O)OC)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CN(CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C17H20N2O5S2/c1-19(26(22,23)16-9-6-10-25-16)12-15(20)18-14(17(21)24-2)11-13-7-4-3-5-8-13/h3-10,14H,11-12H2,1-2H3,(H,18,20)/t14-/m0/s1