2-[(2-azanyl-2-thiophen-2-yl-ethanoyl)-(4-methylphenyl)sulfonyl-amino]-5-(butylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-[(2-azanyl-2-thiophen-2-yl-ethanoyl)-(4-methylphenyl)sulfonyl-amino]-5-(butylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 2-[[2-amino-2-(2-thienyl)acetyl]-(p-tolylsulfonyl)amino]-5-(butylamino)-5-oxo-pentanoic acid CAS Name: 2-[(2-amino-1-oxo-2-thiophen-2-ylethyl)-(4-methylphenyl)sulfonylamino]-5-(butylamino)-5-oxopentanoic acid IUPAC Name: 2-[(2-amino-2-thiophen-2-ylacetyl)-(4-methylphenyl)sulfonylamino]-5-(butylamino)-5-oxopentanoic acid Traditional Name: 2-[[2-amino-2-(2-thienyl)acetyl]-tosyl-amino]-5-(butylamino)-5-keto-valeric acid Formula: C22H29N3O6S2 MolecularWeight: 495.61216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCC(C(=O)O)N(C(=O)C(C1=CC=CS1)N)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCNC(=O)CCC(C(=O)O)N(C(=O)C(C1=CC=CS1)N)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H29N3O6S2/c1-3-4-13-24-19(26)12-11-17(22(28)29)25(21(27)20(23)18-6-5-14-32-18)33(30,31)16-9-7-15(2)8-10-16/h5-10,14,17,20H,3-4,11-13,23H2,1-2H3,(H,24,26)(H,28,29)