2-[(2-azanyl-5-methyl-phenyl)-phenylmethoxycarbonyl-amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(2-azanyl-5-methyl-phenyl)-phenylmethoxycarbonyl-amino]-3-sulfanyl-propanoic acid Openeye Name: 2-(2-amino-N-benzyloxycarbonyl-5-methyl-anilino)-3-sulfanyl-propanoic acid CAS Name: 2-(2-amino-5-methyl-N-phenylmethoxycarbonylanilino)-3-mercaptopropanoic acid IUPAC Name: 2-(2-amino-5-methyl-N-phenylmethoxycarbonylanilino)-3-sulfanylpropanoic acid Traditional Name: 2-(2-amino-N-carbobenzoxy-5-methyl-anilino)-3-mercapto-propionic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N)N(C(CS)C(=O)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)N)N(C(CS)C(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O4S/c1-12-7-8-14(19)15(9-12)20(16(11-25)17(21)22)18(23)24-10-13-5-3-2-4-6-13/h2-9,16,25H,10-11,19H2,1H3,(H,21,22)