(4S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-4-(3-oxidanylpyrrolidin-2-yl)carbonyl-hexanoic acid

Systemtic Name: (4S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-4-(3-oxidanylpyrrolidin-2-yl)carbonyl-hexanoic acid Openeye Name: (4S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-4-(3-hydroxypyrrolidine-2-carbonyl)hexanoic acid CAS Name: (4S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-4-[(3-hydroxy-2-pyrrolidinyl)-oxomethyl]hexanoic acid IUPAC Name: (4S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-4-(3-hydroxypyrrolidine-2-carbonyl)hexanoic acid Traditional Name: (4S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-4-(3-hydroxyprolyl)hexanoic acid Formula: C19H28N2O8S MolecularWeight: 444.49922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C(=O)O)NS(=O)(=O)C1=CC(=C(C=C1)OC)OC)C(=O)C2C(CCN2)O

Isomeric SMILES

CC[C@@H](CC(C(=O)O)NS(=O)(=O)C1=CC(=C(C=C1)OC)OC)C(=O)C2C(CCN2)O

InChI

InChI=1S/C19H28N2O8S/c1-4-11(18(23)17-14(22)7-8-20-17)9-13(19(24)25)21-30(26,27)12-5-6-15(28-2)16(10-12)29-3/h5-6,10-11,13-14,17,20-22H,4,7-9H2,1-3H3,(H,24,25)/t11-,13?,14?,17?/m0/s1