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

Systemtic Name: 2-azanyl-3-[4-[[3-(1-azanyl-1-azanylidene-4-piperazin-1-yl-butan-2-yl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[[3-(1-carbamimidoyl-3-piperazin-1-yl-propyl)-2-oxo-oxazolidin-5-yl]methoxy]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[[3-[1-amino-1-imino-4-(1-piperazinyl)butan-2-yl]-2-oxo-5-oxazolidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[[3-(1-amino-1-imino-4-piperazin-1-ylbutan-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid Traditional Name: 3-[4-[[3-(1-amidino-3-piperazino-propyl)-2-keto-oxazolidin-5-yl]methoxy]phenyl]-2-amino-propionic acid Formula: C21H32N6O5 MolecularWeight: 448.51598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N6O5/c22-17(20(28)29)11-14-1-3-15(4-2-14)31-13-16-12-27(21(30)32-16)18(19(23)24)5-8-26-9-6-25-7-10-26/h1-4,16-18,25H,5-13,22H2,(H3,23,24)(H,28,29)