2-azanyl-3-[[2-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-thiophen-2-yl-ethyl]amino]propanoic acid

Systemtic Name: 2-azanyl-3-[[2-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-thiophen-2-yl-ethyl]amino]propanoic acid Openeye Name: 2-amino-3-[[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-(2-thienyl)ethyl]amino]propanoic acid CAS Name: 2-amino-3-[[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-thiophen-2-ylethyl]amino]propanoic acid IUPAC Name: 2-amino-3-[[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-thiophen-2-ylethyl]amino]propanoic acid Traditional Name: 2-amino-3-[[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-(2-thienyl)ethyl]amino]propionic acid Formula: C15H24N4O2S MolecularWeight: 324.44166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N4O2S/c16-11(15(20)21)9-18-8-10(13-5-3-7-22-13)12-4-1-2-6-14(17)19-12/h3,5,7,10-12,18H,1-2,4,6,8-9,16H2,(H2,17,19)(H,20,21)