5-[[(2S,4S)-1-prop-2-enoxycarbonyl-4-sulfanyl-pyrrolidin-2-yl]methylcarbamoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[(2S,4S)-1-prop-2-enoxycarbonyl-4-sulfanyl-pyrrolidin-2-yl]methylcarbamoyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[(2S,4S)-1-allyloxycarbonyl-4-sulfanyl-pyrrolidin-2-yl]methylcarbamoyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[(2S,4S)-4-mercapto-1-[oxo(prop-2-enoxy)methyl]-2-pyrrolidinyl]methylamino]-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[(2S,4S)-1-prop-2-enoxycarbonyl-4-sulfanylpyrrolidin-2-yl]methylcarbamoyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[(2S,4S)-1-allyloxycarbonyl-4-mercapto-pyrrolidin-2-yl]methylcarbamoyl]isophthalic acid Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1CNC(=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O)S

Isomeric SMILES

C=CCOC(=O)N1C[C@H](C[C@H]1CNC(=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O)S

InChI

InChI=1S/C18H20N2O7S/c1-2-3-27-18(26)20-9-14(28)7-13(20)8-19-15(21)10-4-11(16(22)23)6-12(5-10)17(24)25/h2,4-6,13-14,28H,1,3,7-9H2,(H,19,21)(H,22,23)(H,24,25)/t13-,14-/m0/s1