(3S)-4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (3S)-4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (3S)-4-[(4-tert-butylthiazol-2-yl)amino]-3-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (3S)-4-[(4-tert-butyl-2-thiazolyl)amino]-3-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (3S)-4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (3S)-4-[(4-tert-butylthiazol-2-yl)amino]-3-(2-furfurylammonio)-4-keto-butyrate Formula: C16H21N3O4S MolecularWeight: 351.42064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)NC(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CO2

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)NC(=O)[C@H](CC(=O)[O-])[NH2+]CC2=CC=CO2

InChI

InChI=1S/C16H21N3O4S/c1-16(2,3)12-9-24-15(18-12)19-14(22)11(7-13(20)21)17-8-10-5-4-6-23-10/h4-6,9,11,17H,7-8H2,1-3H3,(H,20,21)(H,18,19,22)/t11-/m0/s1