2-[[4-methyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methylamino]pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[4-methyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methylamino]pentanoyl]amino]ethanoic acid Openeye Name: 2-[[4-methyl-2-[[1-(p-tolylsulfonyl)pyrrolidin-2-yl]methylamino]pentanoyl]amino]acetic acid CAS Name: 2-[[4-methyl-2-[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]methylamino]-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[[4-methyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methylamino]pentanoyl]amino]acetic acid Traditional Name: 2-[[4-methyl-2-[(1-tosylpyrrolidin-2-yl)methylamino]pentanoyl]amino]acetic acid Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(CC(C)C)C(=O)NCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(CC(C)C)C(=O)NCC(=O)O

InChI

InChI=1S/C20H31N3O5S/c1-14(2)11-18(20(26)22-13-19(24)25)21-12-16-5-4-10-23(16)29(27,28)17-8-6-15(3)7-9-17/h6-9,14,16,18,21H,4-5,10-13H2,1-3H3,(H,22,26)(H,24,25)