2-azanyl-3-[4-[[3-(1-azanyl-1-azanylidene-2-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-2-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-methyl-1-(4-piperidyl)ethyl]-2-oxo-oxazolidin-5-yl]methoxy]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[[3-[1-amino-1-imino-2-(4-piperidinyl)propan-2-yl]-2-oxo-5-oxazolidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[[3-(1-amino-1-imino-2-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-methyl-1-(4-piperidyl)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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O5/c1-21(19(23)24,14-6-8-25-9-7-14)26-11-16(31-20(26)29)12-30-15-4-2-13(3-5-15)10-17(22)18(27)28/h2-5,14,16-17,25H,6-12,22H2,1H3,(H3,23,24)(H,27,28)