3-azanyl-2-[[1-(6-azanylhexanoyl)piperidin-3-yl]methyl]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-azanyl-2-[[1-(6-azanylhexanoyl)piperidin-3-yl]methyl]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-amino-2-[[1-(6-aminohexanoyl)-3-piperidyl]methyl]-3-(3-pyridyl)propanoic acid CAS Name: 3-amino-2-[[1-(6-amino-1-oxohexyl)-3-piperidinyl]methyl]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-amino-2-[[1-(6-aminohexanoyl)piperidin-3-yl]methyl]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-amino-2-[[1-(6-aminohexanoyl)-3-piperidyl]methyl]-3-(3-pyridyl)propionic acid Formula: C20H32N4O3 MolecularWeight: 376.49308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCCCCN)CC(C(C2=CN=CC=C2)N)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CCCCCN)CC(C(C2=CN=CC=C2)N)C(=O)O

InChI

InChI=1S/C20H32N4O3/c21-9-3-1-2-8-18(25)24-11-5-6-15(14-24)12-17(20(26)27)19(22)16-7-4-10-23-13-16/h4,7,10,13,15,17,19H,1-3,5-6,8-9,11-12,14,21-22H2,(H,26,27)