2-(aminomethyl)-2-azanyl-3-[3-[(4-carbamimidoylphenyl)methoxy]-1,2-oxazol-5-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(aminomethyl)-2-azanyl-3-[3-[(4-carbamimidoylphenyl)methoxy]-1,2-oxazol-5-yl]-3-oxidanylidene-propanoic acid Openeye Name: 2-amino-2-(aminomethyl)-3-[3-[(4-carbamimidoylphenyl)methoxy]isoxazol-5-yl]-3-oxo-propanoic acid CAS Name: 2-amino-2-(aminomethyl)-3-[3-[(4-carbamimidoylphenyl)methoxy]-5-isoxazolyl]-3-oxopropanoic acid IUPAC Name: 2-amino-2-(aminomethyl)-3-[3-[(4-carbamimidoylphenyl)methoxy]-1,2-oxazol-5-yl]-3-oxopropanoic acid Traditional Name: 3-[3-(4-amidinobenzyl)oxyisoxazol-5-yl]-2-amino-2-(aminomethyl)-3-keto-propionic acid Formula: C15H17N5O5 MolecularWeight: 347.32598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=NOC(=C2)C(=O)C(CN)(C(=O)O)N)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1COC2=NOC(=C2)C(=O)C(CN)(C(=O)O)N)C(=N)N

InChI

InChI=1S/C15H17N5O5/c16-7-15(19,14(22)23)12(21)10-5-11(20-25-10)24-6-8-1-3-9(4-2-8)13(17)18/h1-5H,6-7,16,19H2,(H3,17,18)(H,22,23)