2-azanyl-3-[4-[[3-(1-azanyl-1-azanylidene-2-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-2-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-1-(4-piperidyl)propyl]-2-oxo-oxazolidin-5-yl]methoxy]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[[3-[1-amino-1-imino-2-(4-piperidinyl)butan-2-yl]-2-oxo-5-oxazolidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[[3-(1-amino-1-imino-2-piperidin-4-ylbutan-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid Traditional Name: 3-[4-[[3-[1-amidino-1-(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:

CCC(C1CCNCC1)(C(=N)N)N2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

Isomeric SMILES

CCC(C1CCNCC1)(C(=N)N)N2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

InChI

InChI=1S/C22H33N5O5/c1-2-22(20(24)25,15-7-9-26-10-8-15)27-12-17(32-21(27)30)13-31-16-5-3-14(4-6-16)11-18(23)19(28)29/h3-6,15,17-18,26H,2,7-13,23H2,1H3,(H3,24,25)(H,28,29)