(2S,3S)-3-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[(4-pyrrolidinosulfonylbenzoyl)amino]valerate Formula: C17H23N2O5S- MolecularWeight: 367.43992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5S/c1-3-12(2)15(17(21)22)18-16(20)13-6-8-14(9-7-13)25(23,24)19-10-4-5-11-19/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,18,20)(H,21,22)/p-1/t12-,15-/m0/s1