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

Systemtic Name: methyl (2S,3R)-3-methyl-2-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]pentanoate Openeye Name: methyl (2S,3R)-3-methyl-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]pentanoate CAS Name: (2S,3R)-3-methyl-2-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-methyl-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]pentanoate Traditional Name: (2S,3R)-3-methyl-2-[(3-pyrrolidinosulfonylbenzoyl)amino]valeric acid methyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-4-13(2)16(18(22)25-3)19-17(21)14-8-7-9-15(12-14)26(23,24)20-10-5-6-11-20/h7-9,12-13,16H,4-6,10-11H2,1-3H3,(H,19,21)/t13-,16+/m1/s1