(3S)-3-(4-methylphenyl)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propanoic acid

Systemtic Name: (3S)-3-(4-methylphenyl)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propanoic acid Openeye Name: (3S)-3-(p-tolyl)-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]propanoic acid CAS Name: (3S)-3-(4-methylphenyl)-3-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]propanoic acid IUPAC Name: (3S)-3-(4-methylphenyl)-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]propanoic acid Traditional Name: (3S)-3-(p-tolyl)-3-[(4-pyrrolidinosulfonylbenzoyl)amino]propionic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-15-4-6-16(7-5-15)19(14-20(24)25)22-21(26)17-8-10-18(11-9-17)29(27,28)23-12-2-3-13-23/h4-11,19H,2-3,12-14H2,1H3,(H,22,26)(H,24,25)/t19-/m0/s1