methyl (2S)-3-phenyl-2-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]propanoate Traditional Name: (2S)-3-phenyl-2-[(3-pyrrolidinosulfonylbenzoyl)amino]propionic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H24N2O5S/c1-28-21(25)19(14-16-8-3-2-4-9-16)22-20(24)17-10-7-11-18(15-17)29(26,27)23-12-5-6-13-23/h2-4,7-11,15,19H,5-6,12-14H2,1H3,(H,22,24)/t19-/m0/s1