(2S)-1-[5-[(2-methylphenyl)carbonylamino]-4-oxidanylidene-6-phenyl-hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[5-[(2-methylphenyl)carbonylamino]-4-oxidanylidene-6-phenyl-hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[5-[(2-methylbenzoyl)amino]-4-oxo-6-phenyl-hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[5-[[(2-methylphenyl)-oxomethyl]amino]-1,4-dioxo-6-phenylhexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[5-[(2-methylbenzoyl)amino]-4-oxo-6-phenylhexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[4-keto-5-(o-toluoylamino)-6-phenyl-hexanoyl]proline Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(CC2=CC=CC=C2)C(=O)CCC(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(CC2=CC=CC=C2)C(=O)CCC(=O)N3CCC[C@H]3C(=O)O

InChI

InChI=1S/C25H28N2O5/c1-17-8-5-6-11-19(17)24(30)26-20(16-18-9-3-2-4-10-18)22(28)13-14-23(29)27-15-7-12-21(27)25(31)32/h2-6,8-11,20-21H,7,12-16H2,1H3,(H,26,30)(H,31,32)/t20?,21-/m0/s1