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

Systemtic Name: 2-azanyl-3-[4-[[3-(2-azanyl-2-azanylidene-1-piperidin-4-yl-ethyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[[3-[2-amino-2-imino-1-(4-piperidyl)ethyl]-2-oxo-oxazolidin-5-yl]methoxy]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[[3-[2-amino-2-imino-1-(4-piperidinyl)ethyl]-2-oxo-5-oxazolidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[[3-(2-amino-2-imino-1-piperidin-4-ylethyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid Traditional Name: 2-amino-3-[4-[[3-[2-amino-2-imino-1-(4-piperidyl)ethyl]-2-keto-oxazolidin-5-yl]methoxy]phenyl]propionic acid Formula: C20H29N5O5 MolecularWeight: 419.47476

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(C(=N)N)N2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

Isomeric SMILES

C1CNCCC1C(C(=N)N)N2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

InChI

InChI=1S/C20H29N5O5/c21-16(19(26)27)9-12-1-3-14(4-2-12)29-11-15-10-25(20(28)30-15)17(18(22)23)13-5-7-24-8-6-13/h1-4,13,15-17,24H,5-11,21H2,(H3,22,23)(H,26,27)