methyl (2R)-2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-4-methyl-pentanoate CAS Name: (2R)-2-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-4-methylpentanoate Traditional Name: (2R)-2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-4-methyl-valeric acid methyl ester Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C22H34N2O5S/c1-17(2)16-20(22(26)29-3)23-21(25)13-10-18-8-11-19(12-9-18)30(27,28)24-14-6-4-5-7-15-24/h8-9,11-12,17,20H,4-7,10,13-16H2,1-3H3,(H,23,25)/t20-/m1/s1