5,8-diaminocarbonyl-1-[N,N-bis(prop-2-enyl)carbamimidoyl]-4-carbamimidoyl-naphthalene-2-carboxylic acid

Systemtic Name: 5,8-diaminocarbonyl-1-[N,N-bis(prop-2-enyl)carbamimidoyl]-4-carbamimidoyl-naphthalene-2-carboxylic acid Openeye Name: 4-carbamimidoyl-5,8-dicarbamoyl-1-(N,N-diallylcarbamimidoyl)naphthalene-2-carboxylic acid CAS Name: 1-[[bis(prop-2-enyl)amino]-iminomethyl]-4-carbamimidoyl-5,8-dicarbamoyl-2-naphthalenecarboxylic acid IUPAC Name: 1-[N,N-bis(prop-2-enyl)carbamimidoyl]-4-carbamimidoyl-5,8-dicarbamoylnaphthalene-2-carboxylic acid Traditional Name: 4-amidino-5,8-dicarbamoyl-1-(N,N-diallylamidino)-2-naphthoic acid Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C(=N)C1=C(C=C(C2=C(C=CC(=C21)C(=O)N)C(=O)N)C(=N)N)C(=O)O

Isomeric SMILES

C=CCN(CC=C)C(=N)C1=C(C=C(C2=C(C=CC(=C21)C(=O)N)C(=O)N)C(=N)N)C(=O)O

InChI

InChI=1S/C21H22N6O4/c1-3-7-27(8-4-2)18(24)16-13(21(30)31)9-12(17(22)23)14-10(19(25)28)5-6-11(15(14)16)20(26)29/h3-6,9,24H,1-2,7-8H2,(H3,22,23)(H2,25,28)(H2,26,29)(H,30,31)