2-[[2-(butylamino)-1-naphthalen-2-yl-2-oxidanylidene-ethyl]-[4-[[1,1,4-tris(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]methyl]phenyl]carbonyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(butylamino)-1-naphthalen-2-yl-2-oxidanylidene-ethyl]-[4-[[1,1,4-tris(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]methyl]phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[[2-(butylamino)-1-(2-naphthyl)-2-oxo-ethyl]-[4-[(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)methyl]benzoyl]amino]acetic acid CAS Name: 2-[[2-(butylamino)-1-(2-naphthalenyl)-2-oxoethyl]-[oxo-[4-[(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]amino]acetic acid IUPAC Name: 2-[[2-(butylamino)-1-naphthalen-2-yl-2-oxoethyl]-[4-[(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)methyl]benzoyl]amino]acetic acid Traditional Name: 2-[[2-(butylamino)-2-keto-1-(2-naphthyl)ethyl]-[4-[(1,1,4-triketo-1,2,5-thiadiazolidin-2-yl)methyl]benzoyl]amino]acetic acid Formula: C28H30N4O7S MolecularWeight: 566.6254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C1=CC2=CC=CC=C2C=C1)N(CC(=O)O)C(=O)C3=CC=C(C=C3)CN4CC(=O)NS4(=O)=O

Isomeric SMILES

CCCCNC(=O)C(C1=CC2=CC=CC=C2C=C1)N(CC(=O)O)C(=O)C3=CC=C(C=C3)CN4CC(=O)NS4(=O)=O

InChI

InChI=1S/C28H30N4O7S/c1-2-3-14-29-27(36)26(23-13-12-20-6-4-5-7-22(20)15-23)32(18-25(34)35)28(37)21-10-8-19(9-11-21)16-31-17-24(33)30-40(31,38)39/h4-13,15,26H,2-3,14,16-18H2,1H3,(H,29,36)(H,30,33)(H,34,35)