methyl 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]propanoate

Systemtic Name: methyl 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]propanoate Openeye Name: methyl 2-amino-3-[4-[[3-(1-carbamimidoyl-4-piperazin-1-yl-butyl)-2-oxo-oxazolidin-5-yl]methoxy]phenyl]propanoate 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 methyl ester IUPAC Name: methyl 2-amino-3-[4-[[3-(1-amino-1-imino-5-piperazin-1-ylpentan-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate Traditional Name: 3-[4-[[3-(1-amidino-4-piperazino-butyl)-2-keto-oxazolidin-5-yl]methoxy]phenyl]-2-amino-propionic acid methyl ester Formula: C23H36N6O5 MolecularWeight: 476.56914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCC2CN(C(=O)O2)C(CCCN3CCNCC3)C(=N)N)N

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OCC2CN(C(=O)O2)C(CCCN3CCNCC3)C(=N)N)N

InChI

InChI=1S/C23H36N6O5/c1-32-22(30)19(24)13-16-4-6-17(7-5-16)33-15-18-14-29(23(31)34-18)20(21(25)26)3-2-10-28-11-8-27-9-12-28/h4-7,18-20,27H,2-3,8-15,24H2,1H3,(H3,25,26)