2-azanyl-3-[4-[[3-(1-azanyl-1-azanylidene-2-piperidin-4-yl-pentan-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-pentan-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)butyl]-2-oxo-oxazolidin-5-yl]methoxy]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[[3-[1-amino-1-imino-2-(4-piperidinyl)pentan-2-yl]-2-oxo-5-oxazolidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[[3-(1-amino-1-imino-2-piperidin-4-ylpentan-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid Traditional Name: 3-[4-[[3-[1-amidino-1-(4-piperidyl)butyl]-2-keto-oxazolidin-5-yl]methoxy]phenyl]-2-amino-propionic acid Formula: C23H35N5O5 MolecularWeight: 461.5545

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N5O5/c1-2-9-23(21(25)26,16-7-10-27-11-8-16)28-13-18(33-22(28)31)14-32-17-5-3-15(4-6-17)12-19(24)20(29)30/h3-6,16,18-19,27H,2,7-14,24H2,1H3,(H3,25,26)(H,29,30)