2-[(2-azanyl-3-thiophen-3-yl-propanoyl)-[1,3-bis(oxidanylidene)isoindol-2-yl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 2-[(2-azanyl-3-thiophen-3-yl-propanoyl)-[1,3-bis(oxidanylidene)isoindol-2-yl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: 2-[[2-amino-3-(3-thienyl)propanoyl]-(1,3-dioxoisoindolin-2-yl)amino]-6-oxo-hexanoic acid CAS Name: 2-[[2-amino-1-oxo-3-(3-thiophenyl)propyl]-(1,3-dioxo-2-isoindolyl)amino]-6-oxohexanoic acid IUPAC Name: 2-[(2-amino-3-thiophen-3-ylpropanoyl)-(1,3-dioxoisoindol-2-yl)amino]-6-oxohexanoic acid Traditional Name: 2-[[2-amino-3-(3-thienyl)propanoyl]-phthalimido-amino]-6-keto-hexanoic acid Formula: C21H21N3O6S MolecularWeight: 443.47294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)N(C(CCCC=O)C(=O)O)C(=O)C(CC3=CSC=C3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)N(C(CCCC=O)C(=O)O)C(=O)C(CC3=CSC=C3)N

InChI

InChI=1S/C21H21N3O6S/c22-16(11-13-8-10-31-12-13)20(28)23(17(21(29)30)7-3-4-9-25)24-18(26)14-5-1-2-6-15(14)19(24)27/h1-2,5-6,8-10,12,16-17H,3-4,7,11,22H2,(H,29,30)