3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-pyrrolidin-1-yl-benzoic acid

Systemtic Name: 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-pyrrolidin-1-yl-benzoic acid Openeye Name: 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-pyrrolidin-1-yl-benzoic acid CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-2-(1-pyrrolidinyl)benzoic acid IUPAC Name: 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-2-pyrrolidin-1-ylbenzoic acid Traditional Name: 3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-2-pyrrolidino-benzoic acid Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2N3CCCC3)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2N3CCCC3)C(=O)O

InChI

InChI=1S/C23H26N2O4S/c1-16(26)30-15-18(14-17-8-3-2-4-9-17)22(27)24-20-11-7-10-19(23(28)29)21(20)25-12-5-6-13-25/h2-4,7-11,18H,5-6,12-15H2,1H3,(H,24,27)(H,28,29)