methyl 2-azanyl-3-[4-[[3-(1-azanyl-1-azanylidene-4-piperidin-4-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-piperidin-4-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-(4-piperidyl)propyl]-2-oxo-oxazolidin-5-yl]methoxy]phenyl]propanoate CAS Name: 2-amino-3-[4-[[3-[1-amino-1-imino-4-(4-piperidinyl)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-piperidin-4-ylbutan-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate Traditional Name: 3-[4-[[3-[1-amidino-3-(4-piperidyl)propyl]-2-keto-oxazolidin-5-yl]methoxy]phenyl]-2-amino-propionic acid methyl ester Formula: C23H35N5O5 MolecularWeight: 461.5545

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCC2CN(C(=O)O2)C(CCC3CCNCC3)C(=N)N)N

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OCC2CN(C(=O)O2)C(CCC3CCNCC3)C(=N)N)N

InChI

InChI=1S/C23H35N5O5/c1-31-22(29)19(24)12-16-2-5-17(6-3-16)32-14-18-13-28(23(30)33-18)20(21(25)26)7-4-15-8-10-27-11-9-15/h2-3,5-6,15,18-20,27H,4,7-14,24H2,1H3,(H3,25,26)