2-azanyl-3-[4-[[3-(1-azanyl-1-azanylidene-3-piperazin-1-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-piperazin-1-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-(piperazin-1-ylmethyl)ethyl]-2-oxo-oxazolidin-5-yl]methoxy]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[[3-[1-amino-1-imino-3-(1-piperazinyl)propan-2-yl]-2-oxo-5-oxazolidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[[3-(1-amino-1-imino-3-piperazin-1-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-(piperazinomethyl)ethyl]-2-keto-oxazolidin-5-yl]methoxy]phenyl]propionic acid Formula: C20H30N6O5 MolecularWeight: 434.4894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC(C(=N)N)N2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

Isomeric SMILES

C1CN(CCN1)CC(C(=N)N)N2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

InChI

InChI=1S/C20H30N6O5/c21-16(19(27)28)9-13-1-3-14(4-2-13)30-12-15-10-26(20(29)31-15)17(18(22)23)11-25-7-5-24-6-8-25/h1-4,15-17,24H,5-12,21H2,(H3,22,23)(H,27,28)