5-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-pyrrolidin-1-yl-benzoic acid

Systemtic Name: 5-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-pyrrolidin-1-yl-benzoic acid Openeye Name: 5-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-pyrrolidin-1-yl-benzoic acid CAS Name: 5-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-2-(1-pyrrolidinyl)benzoic acid IUPAC Name: 5-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-2-pyrrolidin-1-ylbenzoic acid Traditional Name: 5-[[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(=C(C=C2)N3CCCC3)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)O

InChI

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