2-[2-[[1-(4-methoxyphenyl)carbonylpyrrolidin-2-yl]carbonylamino]-4-methyl-pentyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[[1-(4-methoxyphenyl)carbonylpyrrolidin-2-yl]carbonylamino]-4-methyl-pentyl]sulfanylethanoic acid Openeye Name: 2-[2-[[1-(4-methoxybenzoyl)pyrrolidine-2-carbonyl]amino]-4-methyl-pentyl]sulfanylacetic acid CAS Name: 2-[[2-[[[1-[(4-methoxyphenyl)-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentyl]thio]acetic acid IUPAC Name: 2-[2-[[1-(4-methoxybenzoyl)pyrrolidine-2-carbonyl]amino]-4-methylpentyl]sulfanylacetic acid Traditional Name: 2-[[4-methyl-2-[(1-p-anisoylprolyl)amino]pentyl]thio]acetic acid Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CSCC(=O)O)NC(=O)C1CCCN1C(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CC(CSCC(=O)O)NC(=O)C1CCCN1C(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H30N2O5S/c1-14(2)11-16(12-29-13-19(24)25)22-20(26)18-5-4-10-23(18)21(27)15-6-8-17(28-3)9-7-15/h6-9,14,16,18H,4-5,10-13H2,1-3H3,(H,22,26)(H,24,25)