[2-[(2-methyl-1-thiophen-2-yl-propyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(2-methyl-1-thiophen-2-yl-propyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-[[2-methyl-1-(2-thienyl)propyl]amino]-2-oxo-ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid [2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butyric acid [2-keto-2-[[2-methyl-1-(2-thienyl)propyl]amino]ethyl] ester Formula: C22H30N2O6S2 MolecularWeight: 482.6134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CS1)NC(=O)COC(=O)C(C(C)C)NS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC(C1=CC=CS1)C(C)C)NS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H30N2O6S2/c1-14(2)20(18-7-6-12-31-18)23-19(25)13-30-22(26)21(15(3)4)24-32(27,28)17-10-8-16(29-5)9-11-17/h6-12,14-15,20-21,24H,13H2,1-5H3,(H,23,25)/t20?,21-/m0/s1