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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)O)CNC(=O)C(CC1=CSC=C1)N

Isomeric SMILES

CC(C)C[C@@H](CC(=O)O)CNC(=O)[C@@H](CC1=CSC=C1)N

InChI

InChI=1S/C15H24N2O3S/c1-10(2)5-12(7-14(18)19)8-17-15(20)13(16)6-11-3-4-21-9-11/h3-4,9-10,12-13H,5-8,16H2,1-2H3,(H,17,20)(H,18,19)/t12-,13+/m0/s1