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]propanoic acid

Systemtic Name: 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]propanoic acid Openeye Name: 2-amino-3-[4-[[3-[1-carbamimidoyl-3-(4-piperidyl)propyl]-2-oxo-oxazolidin-5-yl]methoxy]phenyl]propanoic acid 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 IUPAC Name: 2-amino-3-[4-[[3-(1-amino-1-imino-4-piperidin-4-ylbutan-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid Traditional Name: 3-[4-[[3-[1-amidino-3-(4-piperidyl)propyl]-2-keto-oxazolidin-5-yl]methoxy]phenyl]-2-amino-propionic acid Formula: C22H33N5O5 MolecularWeight: 447.52792

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC(C(=N)N)N2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

Isomeric SMILES

C1CNCCC1CCC(C(=N)N)N2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

InChI

InChI=1S/C22H33N5O5/c23-18(21(28)29)11-15-1-4-16(5-2-15)31-13-17-12-27(22(30)32-17)19(20(24)25)6-3-14-7-9-26-10-8-14/h1-2,4-5,14,17-19,26H,3,6-13,23H2,(H3,24,25)(H,28,29)