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

Systemtic Name: (2R)-2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-4-methyl-pentanoate Openeye Name: (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-methylpentanoate IUPAC Name: (2R)-2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-4-methylpentanoate Traditional Name: (2R)-2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-4-methyl-valerate Formula: C21H31N2O5S- MolecularWeight: 423.54624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-16(2)15-19(21(25)26)22-20(24)12-9-17-7-10-18(11-8-17)29(27,28)23-13-5-3-4-6-14-23/h7-8,10-11,16,19H,3-6,9,12-15H2,1-2H3,(H,22,24)(H,25,26)/p-1/t19-/m1/s1