2-azanyl-3-[4-[[3-(1-azanyl-1-azanylidene-2-piperazin-1-yl-propan-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-propan-2-yl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[[3-(2-amino-2-imino-1-methyl-1-piperazin-1-yl-ethyl)-2-oxo-oxazolidin-5-yl]methoxy]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[[3-[1-amino-1-imino-2-(1-piperazinyl)propan-2-yl]-2-oxo-5-oxazolidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[[3-(1-amino-1-imino-2-piperazin-1-ylpropan-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid Traditional Name: 2-amino-3-[4-[[3-(2-amino-2-imino-1-methyl-1-piperazino-ethyl)-2-keto-oxazolidin-5-yl]methoxy]phenyl]propionic acid Formula: C20H30N6O5 MolecularWeight: 434.4894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N6O5/c1-20(18(22)23,25-8-6-24-7-9-25)26-11-15(31-19(26)29)12-30-14-4-2-13(3-5-14)10-16(21)17(27)28/h2-5,15-16,24H,6-12,21H2,1H3,(H3,22,23)(H,27,28)