methyl 3-[2-[4-(6-methylpyridin-2-yl)butanoylamino]ethanoylamino]-2-(phenoxysulfinylamino)propanoate

Systemtic Name: methyl 3-[2-[4-(6-methylpyridin-2-yl)butanoylamino]ethanoylamino]-2-(phenoxysulfinylamino)propanoate Openeye Name: methyl 3-[[2-[4-(6-methyl-2-pyridyl)butanoylamino]acetyl]amino]-2-(phenoxysulfinylamino)propanoate CAS Name: 3-[[2-[[4-(6-methyl-2-pyridinyl)-1-oxobutyl]amino]-1-oxoethyl]amino]-2-(phenoxysulfinylamino)propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(6-methylpyridin-2-yl)butanoylamino]acetyl]amino]-2-(phenoxysulfinylamino)propanoate Traditional Name: 3-[[2-[4-(6-methyl-2-pyridyl)butanoylamino]acetyl]amino]-2-(phenoxysulfinylamino)propionic acid methyl ester Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CCCC(=O)NCC(=O)NCC(C(=O)OC)NS(=O)OC2=CC=CC=C2

Isomeric SMILES

CC1=NC(=CC=C1)CCCC(=O)NCC(=O)NCC(C(=O)OC)NS(=O)OC2=CC=CC=C2

InChI

InChI=1S/C22H28N4O6S/c1-16-8-6-9-17(25-16)10-7-13-20(27)24-15-21(28)23-14-19(22(29)31-2)26-33(30)32-18-11-4-3-5-12-18/h3-6,8-9,11-12,19,26H,7,10,13-15H2,1-2H3,(H,23,28)(H,24,27)