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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCC2CN(C(=O)O2)C(CCN3CCNCC3)C(=N)N)N

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OCC2CN(C(=O)O2)C(CCN3CCNCC3)C(=N)N)N

InChI

InChI=1S/C22H34N6O5/c1-31-21(29)18(23)12-15-2-4-16(5-3-15)32-14-17-13-28(22(30)33-17)19(20(24)25)6-9-27-10-7-26-8-11-27/h2-5,17-19,26H,6-14,23H2,1H3,(H3,24,25)