[5-(phenylsulfonyl)-2-[(3S)-pyrrolidin-3-yl]phenyl] (2R,3R)-2-azanyl-3-methyl-pentanoate

Systemtic Name: [5-(phenylsulfonyl)-2-[(3S)-pyrrolidin-3-yl]phenyl] (2R,3R)-2-azanyl-3-methyl-pentanoate Openeye Name: [5-(benzenesulfonyl)-2-[(3S)-pyrrolidin-3-yl]phenyl] (2R,3R)-2-amino-3-methyl-pentanoate CAS Name: (2R,3R)-2-amino-3-methylpentanoic acid [5-(benzenesulfonyl)-2-[(3S)-3-pyrrolidinyl]phenyl] ester IUPAC Name: [5-(benzenesulfonyl)-2-[(3S)-pyrrolidin-3-yl]phenyl] (2R,3R)-2-amino-3-methylpentanoate Traditional Name: (2R,3R)-2-amino-3-methyl-valeric acid [5-besyl-2-[(3S)-pyrrolidin-3-yl]phenyl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=C(C=CC(=C1)S(=O)(=O)C2=CC=CC=C2)C3CCNC3)N

Isomeric SMILES

CC[C@@H](C)[C@H](C(=O)OC1=C(C=CC(=C1)S(=O)(=O)C2=CC=CC=C2)[C@@H]3CCNC3)N

InChI

InChI=1S/C22H28N2O4S/c1-3-15(2)21(23)22(25)28-20-13-18(9-10-19(20)16-11-12-24-14-16)29(26,27)17-7-5-4-6-8-17/h4-10,13,15-16,21,24H,3,11-12,14,23H2,1-2H3/t15-,16-,21-/m1/s1