(2S)-6-azanyl-2-[2-(4-thiophen-2-ylcarbonylphenyl)propanoylamino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[2-(4-thiophen-2-ylcarbonylphenyl)propanoylamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[2-[4-(thiophene-2-carbonyl)phenyl]propanoylamino]hexanoic acid CAS Name: (2S)-6-amino-2-[[1-oxo-2-[4-[oxo(thiophen-2-yl)methyl]phenyl]propyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[2-[4-(thiophene-2-carbonyl)phenyl]propanoylamino]hexanoic acid Traditional Name: (2S)-6-amino-2-[2-[4-(2-thenoyl)phenyl]propanoylamino]hexanoic acid Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)N[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C20H24N2O4S/c1-13(19(24)22-16(20(25)26)5-2-3-11-21)14-7-9-15(10-8-14)18(23)17-6-4-12-27-17/h4,6-10,12-13,16H,2-3,5,11,21H2,1H3,(H,22,24)(H,25,26)/t13?,16-/m0/s1