azanyl 3-[3-[2-[(2-aminophenyl)carbonyl-carbamimidoyl-amino]ethanoyl]-5-bromanyl-2-methoxy-phenyl]propanoate

Systemtic Name: azanyl 3-[3-[2-[(2-aminophenyl)carbonyl-carbamimidoyl-amino]ethanoyl]-5-bromanyl-2-methoxy-phenyl]propanoate Openeye Name: amino 3-[3-[2-[(2-aminobenzoyl)-carbamimidoyl-amino]acetyl]-5-bromo-2-methoxy-phenyl]propanoate CAS Name: 3-[3-[2-[[(2-aminophenyl)-oxomethyl]-carbamimidoylamino]-1-oxoethyl]-5-bromo-2-methoxyphenyl]propanoic acid amino ester IUPAC Name: amino 3-[3-[2-[(2-aminobenzoyl)-carbamimidoylamino]acetyl]-5-bromo-2-methoxyphenyl]propanoate Traditional Name: 3-[3-[2-[amidino(anthraniloyl)amino]acetyl]-5-bromo-2-methoxy-phenyl]propionic acid amino ester Formula: C20H22BrN5O5 MolecularWeight: 492.32318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)CN(C(=O)C2=CC=CC=C2N)C(=N)N)Br)CCC(=O)ON

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)CN(C(=O)C2=CC=CC=C2N)C(=N)N)Br)CCC(=O)ON

InChI

InChI=1S/C20H22BrN5O5/c1-30-18-11(6-7-17(28)31-25)8-12(21)9-14(18)16(27)10-26(20(23)24)19(29)13-4-2-3-5-15(13)22/h2-5,8-9H,6-7,10,22,25H2,1H3,(H3,23,24)