2-azanyl-3-[4-[[3-(1-azanyl-1-azanylidene-5-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-5-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-4-piperazin-1-yl-butyl)-2-oxo-oxazolidin-5-yl]methoxy]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[[3-[1-amino-1-imino-5-(1-piperazinyl)pentan-2-yl]-2-oxo-5-oxazolidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[[3-(1-amino-1-imino-5-piperazin-1-ylpentan-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid Traditional Name: 3-[4-[[3-(1-amidino-4-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:

C1CN(CCN1)CCCC(C(=N)N)N2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

Isomeric SMILES

C1CN(CCN1)CCCC(C(=N)N)N2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

InChI

InChI=1S/C22H34N6O5/c23-18(21(29)30)12-15-3-5-16(6-4-15)32-14-17-13-28(22(31)33-17)19(20(24)25)2-1-9-27-10-7-26-8-11-27/h3-6,17-19,26H,1-2,7-14,23H2,(H3,24,25)(H,29,30)