2-azanyl-3-[4-[[3-(1-azanyl-1-azanylidene-3-piperidin-4-yl-propan-2-yl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[[3-(1-azanyl-1-azanylidene-3-piperidin-4-yl-propan-2-yl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[[3-[2-amino-2-imino-1-(4-piperidylmethyl)ethyl]-2-oxo-oxazolidin-5-yl]methoxy]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[[3-[1-amino-1-imino-3-(4-piperidinyl)propan-2-yl]-2-oxo-5-oxazolidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[[3-(1-amino-1-imino-3-piperidin-4-ylpropan-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid Traditional Name: 2-amino-3-[4-[[3-[2-amino-2-imino-1-(4-piperidylmethyl)ethyl]-2-keto-oxazolidin-5-yl]methoxy]phenyl]propionic acid Formula: C21H31N5O5 MolecularWeight: 433.50134

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC(C(=N)N)N2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

Isomeric SMILES

C1CNCCC1CC(C(=N)N)N2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

InChI

InChI=1S/C21H31N5O5/c22-17(20(27)28)9-13-1-3-15(4-2-13)30-12-16-11-26(21(29)31-16)18(19(23)24)10-14-5-7-25-8-6-14/h1-4,14,16-18,25H,5-12,22H2,(H3,23,24)(H,27,28)