2-azanyl-3-[[1-methylsulfonyl-5-(phenylmethoxymethyl)pyrrolidin-3-yl]disulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[[1-methylsulfonyl-5-(phenylmethoxymethyl)pyrrolidin-3-yl]disulfanyl]propanoic acid Openeye Name: 2-amino-3-[[5-(benzyloxymethyl)-1-methylsulfonyl-pyrrolidin-3-yl]disulfanyl]propanoic acid CAS Name: 2-amino-3-[[1-methylsulfonyl-5-(phenylmethoxymethyl)-3-pyrrolidinyl]disulfanyl]propanoic acid IUPAC Name: 2-amino-3-[[1-methylsulfonyl-5-(phenylmethoxymethyl)pyrrolidin-3-yl]disulfanyl]propanoic acid Traditional Name: 2-amino-3-[[5-(benzoxymethyl)-1-mesyl-pyrrolidin-3-yl]disulfanyl]propionic acid Formula: C16H24N2O5S3 MolecularWeight: 420.56716

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(CC1COCC2=CC=CC=C2)SSCC(C(=O)O)N

Isomeric SMILES

CS(=O)(=O)N1CC(CC1COCC2=CC=CC=C2)SSCC(C(=O)O)N

InChI

InChI=1S/C16H24N2O5S3/c1-26(21,22)18-8-14(25-24-11-15(17)16(19)20)7-13(18)10-23-9-12-5-3-2-4-6-12/h2-6,13-15H,7-11,17H2,1H3,(H,19,20)