2-azanyl-3-(7-azanylazepan-2-yl)-3-thiophen-2-yl-propanoic acid

Systemtic Name: 2-azanyl-3-(7-azanylazepan-2-yl)-3-thiophen-2-yl-propanoic acid Openeye Name: 2-amino-3-(7-aminoazepan-2-yl)-3-(2-thienyl)propanoic acid CAS Name: 2-amino-3-(7-amino-2-azepanyl)-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-amino-3-(7-aminoazepan-2-yl)-3-thiophen-2-ylpropanoic acid Traditional Name: 2-amino-3-(7-aminoazepan-2-yl)-3-(2-thienyl)propionic acid Formula: C13H21N3O2S MolecularWeight: 283.38974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NC(C1)C(C2=CC=CS2)C(C(=O)O)N)N

Isomeric SMILES

C1CCC(NC(C1)C(C2=CC=CS2)C(C(=O)O)N)N

InChI

InChI=1S/C13H21N3O2S/c14-10-6-2-1-4-8(16-10)11(12(15)13(17)18)9-5-3-7-19-9/h3,5,7-8,10-12,16H,1-2,4,6,14-15H2,(H,17,18)