2-azanyl-3-[4-[[3-(1-azanyl-1-azanylidene-2-piperazin-1-yl-pentan-2-yl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[[3-(1-azanyl-1-azanylidene-2-piperazin-1-yl-pentan-2-yl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[[3-(1-carbamimidoyl-1-piperazin-1-yl-butyl)-2-oxo-oxazolidin-5-yl]methoxy]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[[3-[1-amino-1-imino-2-(1-piperazinyl)pentan-2-yl]-2-oxo-5-oxazolidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[[3-(1-amino-1-imino-2-piperazin-1-ylpentan-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid Traditional Name: 3-[4-[[3-(1-amidino-1-piperazino-butyl)-2-keto-oxazolidin-5-yl]methoxy]phenyl]-2-amino-propionic acid Formula: C22H34N6O5 MolecularWeight: 462.54256

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=N)N)(N1CCNCC1)N2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

Isomeric SMILES

CCCC(C(=N)N)(N1CCNCC1)N2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

InChI

InChI=1S/C22H34N6O5/c1-2-7-22(20(24)25,27-10-8-26-9-11-27)28-13-17(33-21(28)31)14-32-16-5-3-15(4-6-16)12-18(23)19(29)30/h3-6,17-18,26H,2,7-14,23H2,1H3,(H3,24,25)(H,29,30)