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

C1CNCCC1CCCC(C(=N)N)N2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

Isomeric SMILES

C1CNCCC1CCCC(C(=N)N)N2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

InChI

InChI=1S/C23H35N5O5/c24-19(22(29)30)12-16-4-6-17(7-5-16)32-14-18-13-28(23(31)33-18)20(21(25)26)3-1-2-15-8-10-27-11-9-15/h4-7,15,18-20,27H,1-3,8-14,24H2,(H3,25,26)(H,29,30)