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

Systemtic Name: 2-[(2-azanyl-3-thiophen-3-yl-propanoyl)-[1,3-bis(oxidanylidene)isoindol-2-yl]amino]-6-oxidanyl-hexanoic acid Openeye Name: 2-[[2-amino-3-(3-thienyl)propanoyl]-(1,3-dioxoisoindolin-2-yl)amino]-6-hydroxy-hexanoic acid CAS Name: 2-[[2-amino-1-oxo-3-(3-thiophenyl)propyl]-(1,3-dioxo-2-isoindolyl)amino]-6-hydroxyhexanoic acid IUPAC Name: 2-[(2-amino-3-thiophen-3-ylpropanoyl)-(1,3-dioxoisoindol-2-yl)amino]-6-hydroxyhexanoic acid Traditional Name: 2-[[2-amino-3-(3-thienyl)propanoyl]-phthalimido-amino]-6-hydroxy-hexanoic acid Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6S/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/h1-2,5-6,8,10,12,16-17,25H,3-4,7,9,11,22H2,(H,29,30)