(3S)-5-[[4-(4-butylphenyl)-3-cyano-thiophen-2-yl]amino]-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-[[4-(4-butylphenyl)-3-cyano-thiophen-2-yl]amino]-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-[[4-(4-butylphenyl)-3-cyano-2-thienyl]amino]-3-methyl-5-oxo-pentanoic acid CAS Name: (3S)-5-[[4-(4-butylphenyl)-3-cyano-2-thiophenyl]amino]-3-methyl-5-oxopentanoic acid IUPAC Name: (3S)-5-[[4-(4-butylphenyl)-3-cyanothiophen-2-yl]amino]-3-methyl-5-oxopentanoic acid Traditional Name: (3S)-5-[[4-(4-butylphenyl)-3-cyano-2-thienyl]amino]-5-keto-3-methyl-valeric acid Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)CC(C)CC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)C[C@H](C)CC(=O)O

InChI

InChI=1S/C21H24N2O3S/c1-3-4-5-15-6-8-16(9-7-15)18-13-27-21(17(18)12-22)23-19(24)10-14(2)11-20(25)26/h6-9,13-14H,3-5,10-11H2,1-2H3,(H,23,24)(H,25,26)/t14-/m0/s1