2-azanyl-3-[4-[[3-(1-azanyl-1-azanylidene-2-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-2-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-1-piperazin-1-yl-propyl)-2-oxo-oxazolidin-5-yl]methoxy]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[[3-[1-amino-1-imino-2-(1-piperazinyl)butan-2-yl]-2-oxo-5-oxazolidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[[3-(1-amino-1-imino-2-piperazin-1-ylbutan-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid Traditional Name: 3-[4-[[3-(1-amidino-1-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:

CCC(C(=N)N)(N1CCNCC1)N2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

Isomeric SMILES

CCC(C(=N)N)(N1CCNCC1)N2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

InChI

InChI=1S/C21H32N6O5/c1-2-21(19(23)24,26-9-7-25-8-10-26)27-12-16(32-20(27)30)13-31-15-5-3-14(4-6-15)11-17(22)18(28)29/h3-6,16-17,25H,2,7-13,22H2,1H3,(H3,23,24)(H,28,29)