2-azanyl-1-morpholin-4-yl-pentan-1-one; 2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-azanyl-1-morpholin-4-yl-pentan-1-one; 2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-1-morpholino-pentan-1-one; 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-1-(4-morpholinyl)-1-pentanone; 2-[[[4-methyl-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-1-morpholin-4-ylpentan-1-one; 2-[[4-methyl-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-1-morpholino-pentan-1-one; 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C29H41N3O5S MolecularWeight: 543.71794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCOCC1)N.CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C

Isomeric SMILES

CCCC(C(=O)N1CCOCC1)N.CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C

InChI

InChI=1S/C20H23NO3S.C9H18N2O2/c1-13-8-9-16(17(12-13)15-7-5-4-6-14(15)2)19(22)21-18(20(23)24)10-11-25-3;1-2-3-8(10)9(12)11-4-6-13-7-5-11/h4-9,12,18H,10-11H2,1-3H3,(H,21,22)(H,23,24);8H,2-7,10H2,1H3