2-azanyl-3-[4-(1-ethanoyl-2-methoxycarbonyl-4-sulfanylidene-pyrrolidin-2-yl)phenyl]-2-methyl-propanoic acid

Systemtic Name: 2-azanyl-3-[4-(1-ethanoyl-2-methoxycarbonyl-4-sulfanylidene-pyrrolidin-2-yl)phenyl]-2-methyl-propanoic acid Openeye Name: 3-[4-(1-acetyl-2-methoxycarbonyl-4-thioxo-pyrrolidin-2-yl)phenyl]-2-amino-2-methyl-propanoic acid CAS Name: 3-[4-(1-acetyl-2-methoxycarbonyl-4-sulfanylidene-2-pyrrolidinyl)phenyl]-2-amino-2-methylpropanoic acid IUPAC Name: 3-[4-(1-acetyl-2-methoxycarbonyl-4-sulfanylidenepyrrolidin-2-yl)phenyl]-2-amino-2-methylpropanoic acid Traditional Name: 3-[4-(1-acetyl-2-carbomethoxy-4-thioxo-pyrrolidin-2-yl)phenyl]-2-amino-2-methyl-propionic acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(=S)CC1(C2=CC=C(C=C2)CC(C)(C(=O)O)N)C(=O)OC

Isomeric SMILES

CC(=O)N1CC(=S)CC1(C2=CC=C(C=C2)CC(C)(C(=O)O)N)C(=O)OC

InChI

InChI=1S/C18H22N2O5S/c1-11(21)20-10-14(26)9-18(20,16(24)25-3)13-6-4-12(5-7-13)8-17(2,19)15(22)23/h4-7H,8-10,19H2,1-3H3,(H,22,23)