(3S)-3-[[[(2R)-2-azanyl-3-thiophen-2-yl-propanoyl]amino]methyl]-5-methyl-hexanoic acid

Systemtic Name: (3S)-3-[[[(2R)-2-azanyl-3-thiophen-2-yl-propanoyl]amino]methyl]-5-methyl-hexanoic acid Openeye Name: (3S)-3-[[[(2R)-2-amino-3-(2-thienyl)propanoyl]amino]methyl]-5-methyl-hexanoic acid CAS Name: (3S)-3-[[[(2R)-2-amino-1-oxo-3-thiophen-2-ylpropyl]amino]methyl]-5-methylhexanoic acid IUPAC Name: (3S)-3-[[[(2R)-2-amino-3-thiophen-2-ylpropanoyl]amino]methyl]-5-methylhexanoic acid Traditional Name: (3S)-3-[[[(2R)-2-amino-3-(2-thienyl)propanoyl]amino]methyl]-5-methyl-hexanoic acid Formula: C15H24N2O3S MolecularWeight: 312.42766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)O)CNC(=O)C(CC1=CC=CS1)N

Isomeric SMILES

CC(C)C[C@@H](CC(=O)O)CNC(=O)[C@@H](CC1=CC=CS1)N

InChI

InChI=1S/C15H24N2O3S/c1-10(2)6-11(7-14(18)19)9-17-15(20)13(16)8-12-4-3-5-21-12/h3-5,10-11,13H,6-9,16H2,1-2H3,(H,17,20)(H,18,19)/t11-,13+/m0/s1