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

Systemtic Name: (2R)-2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-3-methyl-butanoate Openeye Name: (2R)-2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-3-methyl-butanoate CAS Name: (2R)-2-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]-3-methylbutanoate IUPAC Name: (2R)-2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-3-methylbutanoate Traditional Name: (2R)-2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-3-methyl-butyrate Formula: C20H29N2O5S- MolecularWeight: 409.51966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-15(2)19(20(24)25)21-18(23)12-9-16-7-10-17(11-8-16)28(26,27)22-13-5-3-4-6-14-22/h7-8,10-11,15,19H,3-6,9,12-14H2,1-2H3,(H,21,23)(H,24,25)/p-1/t19-/m1/s1