2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-4-(4-phenylbutylamino)butanoic acid

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-4-(4-phenylbutylamino)butanoic acid Openeye Name: 4-oxo-4-(4-phenylbutylamino)-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]butanoic acid CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-4-oxo-4-(4-phenylbutylamino)butanoic acid IUPAC Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-oxo-4-(4-phenylbutylamino)butanoic acid Traditional Name: 4-keto-4-(4-phenylbutylamino)-2-[(1-tosylprolyl)amino]butyric acid Formula: C26H33N3O6S MolecularWeight: 515.62172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC(=O)NCCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC(=O)NCCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H33N3O6S/c1-19-12-14-21(15-13-19)36(34,35)29-17-7-11-23(29)25(31)28-22(26(32)33)18-24(30)27-16-6-5-10-20-8-3-2-4-9-20/h2-4,8-9,12-15,22-23H,5-7,10-11,16-18H2,1H3,(H,27,30)(H,28,31)(H,32,33)