2-methyl-6-[[4-methylsulfanyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]butanoyl]amino]benzoic acid

Systemtic Name: 2-methyl-6-[[4-methylsulfanyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]butanoyl]amino]benzoic acid Openeye Name: 2-[[2-[(1-benzyloxycarbonylpyrrolidine-2-carbonyl)amino]-4-methylsulfanyl-butanoyl]amino]-6-methyl-benzoic acid CAS Name: 2-methyl-6-[[4-(methylthio)-1-oxo-2-[[oxo-(1-phenylmethoxycarbonyl-2-pyrrolidinyl)methyl]amino]butyl]amino]benzoic acid IUPAC Name: 2-methyl-6-[[4-methylsulfanyl-2-[(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]butanoyl]amino]benzoic acid Traditional Name: 2-[[2-[(1-carbobenzoxyprolyl)amino]-4-(methylthio)butanoyl]amino]-6-methyl-benzoic acid Formula: C26H31N3O6S MolecularWeight: 513.60584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(CCSC)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C(CCSC)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H31N3O6S/c1-17-8-6-11-19(22(17)25(32)33)27-23(30)20(13-15-36-2)28-24(31)21-12-7-14-29(21)26(34)35-16-18-9-4-3-5-10-18/h3-6,8-11,20-21H,7,12-16H2,1-2H3,(H,27,30)(H,28,31)(H,32,33)