methyl (2R)-3-(1H-indol-3-yl)-2-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[(1-mesylisonipecotoyl)amino]propionic acid methyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H25N3O5S/c1-27-19(24)17(11-14-12-20-16-6-4-3-5-15(14)16)21-18(23)13-7-9-22(10-8-13)28(2,25)26/h3-6,12-13,17,20H,7-11H2,1-2H3,(H,21,23)/t17-/m1/s1