(2S)-2-azaniumyl-3-[(3R)-2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]sulfanyl-3-methyl-butanoate

Systemtic Name: (2S)-2-azaniumyl-3-[(3R)-2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]sulfanyl-3-methyl-butanoate Openeye Name: (2S)-2-azaniumyl-3-[(3R)-2,5-dioxo-1-phenyl-pyrrolidin-3-yl]sulfanyl-3-methyl-butanoate CAS Name: (2S)-2-ammonio-3-[[(3R)-2,5-dioxo-1-phenyl-3-pyrrolidinyl]thio]-3-methylbutanoate IUPAC Name: (2S)-2-azaniumyl-3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-3-methylbutanoate Traditional Name: (2S)-2-ammonio-3-[[(3R)-2,5-diketo-1-phenyl-pyrrolidin-3-yl]thio]-3-methyl-butyrate Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)[O-])[NH3+])SC1CC(=O)N(C1=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)([C@H](C(=O)[O-])[NH3+])S[C@@H]1CC(=O)N(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C15H18N2O4S/c1-15(2,12(16)14(20)21)22-10-8-11(18)17(13(10)19)9-6-4-3-5-7-9/h3-7,10,12H,8,16H2,1-2H3,(H,20,21)/t10-,12+/m1/s1