4-methyl-2-[[2-phenyl-4-[(4-sulfanylpyrrolidin-2-yl)methylamino]phenyl]carbonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[[2-phenyl-4-[(4-sulfanylpyrrolidin-2-yl)methylamino]phenyl]carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[[2-phenyl-4-[(4-sulfanylpyrrolidin-2-yl)methylamino]benzoyl]amino]pentanoic acid CAS Name: 2-[[[4-[(4-mercapto-2-pyrrolidinyl)methylamino]-2-phenylphenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 4-methyl-2-[[2-phenyl-4-[(4-sulfanylpyrrolidin-2-yl)methylamino]benzoyl]amino]pentanoic acid Traditional Name: 2-[[4-[(4-mercaptopyrrolidin-2-yl)methylamino]-2-phenyl-benzoyl]amino]-4-methyl-valeric acid Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2CC(CN2)S)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2CC(CN2)S)C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3S/c1-15(2)10-22(24(29)30)27-23(28)20-9-8-17(25-13-18-11-19(31)14-26-18)12-21(20)16-6-4-3-5-7-16/h3-9,12,15,18-19,22,25-26,31H,10-11,13-14H2,1-2H3,(H,27,28)(H,29,30)