2-[[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]amino]-2-methyl-pentanoic acid

Systemtic Name: 2-[[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]amino]-2-methyl-pentanoic acid Openeye Name: 2-[[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]amino]-2-methyl-pentanoic acid CAS Name: 2-[[3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]amino]-2-methylpentanoic acid IUPAC Name: 2-[[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]amino]-2-methylpentanoic acid Traditional Name: 2-[[3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]amino]-2-methyl-valeric acid Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NCCC(=O)NC1=C(C=CS1)C#N

Isomeric SMILES

CCCC(C)(C(=O)O)NCCC(=O)NC1=C(C=CS1)C#N

InChI

InChI=1S/C14H19N3O3S/c1-3-6-14(2,13(19)20)16-7-4-11(18)17-12-10(9-15)5-8-21-12/h5,8,16H,3-4,6-7H2,1-2H3,(H,17,18)(H,19,20)