2-azanyl-3-[1-[2,6-bis(azanyl)hexanoyl]indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[1-[2,6-bis(azanyl)hexanoyl]indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[1-(2,6-diaminohexanoyl)indol-3-yl]propanoic acid CAS Name: 2-amino-3-[1-(2,6-diamino-1-oxohexyl)-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[1-(2,6-diaminohexanoyl)indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[1-(2,6-diaminohexanoyl)indol-3-yl]propionic acid Formula: C17H24N4O3 MolecularWeight: 332.39746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2C(=O)C(CCCCN)N)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2C(=O)C(CCCCN)N)CC(C(=O)O)N

InChI

InChI=1S/C17H24N4O3/c18-8-4-3-6-13(19)16(22)21-10-11(9-14(20)17(23)24)12-5-1-2-7-15(12)21/h1-2,5,7,10,13-14H,3-4,6,8-9,18-20H2,(H,23,24)