methyl 2-azanyl-3-[4-[[3-(1-azanyl-1-azanylidene-3-piperazin-1-yl-propan-2-yl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate

Systemtic Name: methyl 2-azanyl-3-[4-[[3-(1-azanyl-1-azanylidene-3-piperazin-1-yl-propan-2-yl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate Openeye Name: methyl 2-amino-3-[4-[[3-[2-amino-2-imino-1-(piperazin-1-ylmethyl)ethyl]-2-oxo-oxazolidin-5-yl]methoxy]phenyl]propanoate CAS Name: 2-amino-3-[4-[[3-[1-amino-1-imino-3-(1-piperazinyl)propan-2-yl]-2-oxo-5-oxazolidinyl]methoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-[4-[[3-(1-amino-1-imino-3-piperazin-1-ylpropan-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate Traditional Name: 2-amino-3-[4-[[3-[2-amino-2-imino-1-(piperazinomethyl)ethyl]-2-keto-oxazolidin-5-yl]methoxy]phenyl]propionic acid methyl ester Formula: C21H32N6O5 MolecularWeight: 448.51598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCC2CN(C(=O)O2)C(CN3CCNCC3)C(=N)N)N

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OCC2CN(C(=O)O2)C(CN3CCNCC3)C(=N)N)N

InChI

InChI=1S/C21H32N6O5/c1-30-20(28)17(22)10-14-2-4-15(5-3-14)31-13-16-11-27(21(29)32-16)18(19(23)24)12-26-8-6-25-7-9-26/h2-5,16-18,25H,6-13,22H2,1H3,(H3,23,24)