2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-4-[2-(1-methylpyrrol-2-yl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-4-[2-(1-methylpyrrol-2-yl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]-4-[2-(1-methylpyrrol-2-yl)ethylamino]-4-oxo-butanoic acid CAS Name: 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-4-[2-(1-methyl-2-pyrrolyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-4-[2-(1-methylpyrrol-2-yl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-(1-methylpyrrol-2-yl)ethylamino]-2-[[2-[methyl(tosyl)amino]acetyl]amino]butyric acid Formula: C21H28N4O6S MolecularWeight: 464.53522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC(CC(=O)NCCC2=CC=CN2C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC(CC(=O)NCCC2=CC=CN2C)C(=O)O

InChI

InChI=1S/C21H28N4O6S/c1-15-6-8-17(9-7-15)32(30,31)25(3)14-20(27)23-18(21(28)29)13-19(26)22-11-10-16-5-4-12-24(16)2/h4-9,12,18H,10-11,13-14H2,1-3H3,(H,22,26)(H,23,27)(H,28,29)