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

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

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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=CC=CS3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)N(C(CCCC=O)C(=O)O)C(=O)C(CC3=CC=CS3)N

InChI

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