(2S)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propanoic acid Openeye Name: (2S)-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]propanoic acid CAS Name: (2S)-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]propanoic acid IUPAC Name: (2S)-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]propanoic acid Traditional Name: (2S)-2-[(4-pyrrolidinosulfonylbenzoyl)amino]propionic acid Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C14H18N2O5S/c1-10(14(18)19)15-13(17)11-4-6-12(7-5-11)22(20,21)16-8-2-3-9-16/h4-7,10H,2-3,8-9H2,1H3,(H,15,17)(H,18,19)/t10-/m0/s1