methyl 3-[4-(2-azanylpropanoylamino)phenyl]-2-(ethanethioylamino)propanoate

Systemtic Name: methyl 3-[4-(2-azanylpropanoylamino)phenyl]-2-(ethanethioylamino)propanoate Openeye Name: methyl 3-[4-(2-aminopropanoylamino)phenyl]-2-(ethanethioylamino)propanoate CAS Name: 3-[4-[(2-amino-1-oxopropyl)amino]phenyl]-2-(1-sulfanylideneethylamino)propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2-aminopropanoylamino)phenyl]-2-(ethanethioylamino)propanoate Traditional Name: 3-[4-(alanylamino)phenyl]-2-(thioacetylamino)propionic acid methyl ester Formula: C15H21N3O3S MolecularWeight: 323.41054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC(C(=O)OC)NC(=S)C)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)CC(C(=O)OC)NC(=S)C)N

InChI

InChI=1S/C15H21N3O3S/c1-9(16)14(19)18-12-6-4-11(5-7-12)8-13(15(20)21-3)17-10(2)22/h4-7,9,13H,8,16H2,1-3H3,(H,17,22)(H,18,19)